SCHEMBL450723

SCHEMBL450723

COC(OC)c1ccc(C(c2ccc(CBr)cc2)(c2ccc(CBr)cc2)c2ccc(CBr)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL7328733 0.89 TSHR (0.39) TRPA1ALDH1A1TSHR
SCHEMBL28718982 0.78 TSHR (0.48) TRPA1ALDH1A1TSHR
SCHEMBL799991 0.74 TSHR (0.44) ALDH1A1TSHR
SCHEMBL15953591 0.73 TDP1 (0.43)
SCHEMBL8955219 0.71 CA12 (0.35) ALDH1A1TSHR
SCHEMBL452554 0.70 ALDH1A1 (0.40) TRPA1ALDH1A1TSHR
SCHEMBL9008790 0.70 TDP1 (0.50) ALDH1A1TSHR
SCHEMBL6947245 0.69 ACHE (0.46) TRPA1ALDH1A1TSHR
SCHEMBL121893 0.69 TSHR (0.48) TRPA1ALDH1A1TSHR
SCHEMBL11393154 0.69 PDE2A (0.44) ALDH1A1TSHR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-20050096465-A1 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces ZETTACORE, INC. 2005-05-05 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 (6 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 TRPA1 3647/4885ALDH1A1 1570/4885TSHR 4020/4885
US-20050096465-A1 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces PPOX, DAO, DDO TRPA1 3647/4885ALDH1A1 1570/4885TSHR 4020/4885
US-20120322999-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO TRPA1 3647/4885ALDH1A1 1570/4885TSHR 4020/4885
US-20090234136-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES PPOX, DAO, DDO TRPA1 3647/4885ALDH1A1 1570/4885TSHR 4020/4885
US-20070055060-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO TRPA1 3647/4885ALDH1A1 1570/4885TSHR 4020/4885
US-20120065391-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES PPOX, DAO, DDO TRPA1 3647/4885ALDH1A1 1570/4885TSHR 4020/4885

“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.