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Sugi Predict / Compounds / SCHEMBL455878

SCHEMBL455878

SCHEMBL455878

CCOP(=O)(Cc1ccc(C(c2ccc(C=O)cc2)(c2ccc(CP(=O)(OCC)OCC)cc2)c2ccc(CP(=O)(OCC)OCC)cc2)cc1)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HDAC1 Q13547 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ HMGCR P04035 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ ALDH3A1 P30838 1/20 0.34
▸ ALDH1A3 P47895 1/20 0.34
▸ CCNT1 O60563 2/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP2A6 P11509 2/20 0.33
▸ TSHR P16473 1/20 0.32
▸ TACR2 P21452 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL440134 0.91 ALDH1A1 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL13321994 0.86 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL13321993 0.86 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL22921004 0.81 EPHX2 (0.42) EPHX2NR1H4LMNAMAPTSMN1; SMN2
SCHEMBL14958855 0.80 EPHX2 (0.36) EPHX2NR1H4ALDH1A1LMNAMAPT
SCHEMBL13451262 0.79 NPY5R (0.41) ALDH1A1MAPTHPGDHDAC1NPY5R
SCHEMBL3375825 0.79 TSHR (0.50) MAPTHDAC1NPY5RTLR8TLR7
SCHEMBL13321999 0.78 KDM4E (0.40) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL1353297 0.76 HDAC1 (0.42) EPHX2HDAC1NPY5RCCNT1CDK9
SCHEMBL5537640 0.76 NPY5R (0.42) ALDH1A1MAPTHDAC1NPY5RTLR8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022862-B2 Scalable synthesis of dipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2006-04-04 — — US claimed
US-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 — — US claimed
US-8445695-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2013-05-21 — — US disclosed
US-20120322999-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces LINDSEY JONATHAN S (US) 2012-12-20 — — US disclosed
US-8278439-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2012-10-02 — — US disclosed
US-20120065391-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES LINDSEY JONATHAN S (US) 2012-03-15 — — US disclosed
US-8080653-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2011-12-20 — — US disclosed
US-7718794-B2 Synthesis of porphyrins designed for attachment to electroactive surfaces via one or more carbon tethers NORTH CAROLINA STATE UNIVERSITY (US) 2010-05-18 — — US disclosed
US-20090234136-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES LINDSEY JONATHAN S 2009-09-17 — — US disclosed
US-7553977-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2009-06-30 — — US disclosed
US-20080269501-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2008-10-30 — — US disclosed
US-7314941-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2008-01-01 — — US disclosed
EP-1763317-A1 SYNTHESIS OF PORPHYRINS DESIGNED FOR ATTACHMENT TO ELECTROACTIVE SURFACES VIA ONE OR MORE CARBON TETHERS North Carolina State University (US) 2007-03-21 — — EP disclosed
US-20070055060-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces LINDSEY JONATHAN S 2007-03-08 — — US disclosed
US-7148361-B2 For the production of solar cells and molecular memory devices NORTH CAROLINA STATE UNIVERSITY (US) 2006-12-12 — — US disclosed
US-7022862-B2 Scalable synthesis of dipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2006-04-04 — — US disclosed
WO-2006016943-A1 SYNTHESIS OF PORPHYRINS DESIGNED FOR ATTACHMENT TO ELECTROACTIVE SURFACES VIA ONE OR MORE CARBON TETHERS NORTH CAROLINA STATE UNIVERSITY (US) 2006-02-16 — — WO disclosed
US-20060009638-A1 Synthesis of porphyrins designed for attachment to electroactive surfaces via one or more carbon tethers ZETTACORE, INC. 2006-01-12 — — US disclosed
US-20050096465-A1 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces ZETTACORE, INC. 2005-05-05 — — US disclosed
US-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080269501-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO EPHX2 2630/4885NR1H4 4603/4885ALDH1A1 1570/4885
US-20060009638-A1 Synthesis of porphyrins designed for attachment to electroactive surfaces via one or more carbon tethers SCO2, PPOX, HCCS EPHX2 123/4885NR1H4 225/4885ALDH1A1 909/4885
US-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process PPOX, DAO, DDO EPHX2 618/4885NR1H4 4413/4885ALDH1A1 72/4885
US-20050096465-A1 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces PPOX, DAO, DDO EPHX2 2630/4885NR1H4 4603/4885ALDH1A1 1570/4885
US-20120322999-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO EPHX2 2630/4885NR1H4 4603/4885ALDH1A1 1570/4885
US-20090234136-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES PPOX, DAO, DDO EPHX2 2630/4885NR1H4 4603/4885ALDH1A1 1570/4885
US-20070055060-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO EPHX2 2630/4885NR1H4 4603/4885ALDH1A1 1570/4885
US-20120065391-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES PPOX, DAO, DDO EPHX2 2630/4885NR1H4 4603/4885ALDH1A1 1570/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.