SCHEMBL3285808

SCHEMBL3285808

CC(=O)SCc1ccc(C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
CYP2A6 P11509 3/20 0.40
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
KMT2A Q03164 3/20 0.38
NOS1 P29475 1/20 0.38
EGFR P00533 1/20 0.37
TYR P14679 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2A13 Q16696 1/20 0.36
IDO1 P14902 2/20 0.36

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
SCHEMBL3286279 0.90 EPHX2 (0.47) ALDH1A1CYP2A6EPHX2NR1H4LMNA
SCHEMBL4273816 0.90 FFAR1 (0.42) ALDH1A1EPHX2NR1H4LMNAMAPT
SCHEMBL6537071 0.83 ALDH1A1 (0.41) ALDH1A1LMNAMAPTNOS1IDO1
SCHEMBL4267757 0.81 NPC1 (0.40) ALDH1A1CYP2A6ALDH5A1ABATEPHX2
SCHEMBL4262310 0.79 ALDH1A1 (0.38) ALDH1A1CYP2A6ALDH5A1ABATEPHX2
SCHEMBL3286710 0.79 UNG (0.43) ALDH1A1NOS1IDO1
SCHEMBL6517369 0.78 IDO1 (0.59) ALDH1A1CYP2A6LMNAMAPTSMN1; SMN2
SCHEMBL11957418 0.78 NOS1 (0.46) ALDH1A1KMT2ANOS1IDO1
SCHEMBL10126371 0.78 IDO1 (0.51) ALDH1A1LMNAKMT2ANOS1KDM4E
SCHEMBL19725955 0.78 IDO1 (0.59) ALDH1A1HPGDSMN1; SMN2NOS1EGFR

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 14 patents. 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-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-7518905-B2 High density memory device THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-14 US disclosed
US-20080194839-A1 SYNTHESIS OF PORPHYRINS DESIGNED FOR ATTACHMENT TO ELECTROACTIVE SURFACES VIA ONE OR MORE CARBON TETHERS NORTH CAROLINA STATE UNIVERSITY (US) 2008-08-14 US disclosed
US-7378520-B2 Synthesis of porphyrins designed for attachment to electroactive surfaces via one or more carbon tethers NORTH CAROLINA STATE UNIVERSITY (US) 2008-05-27 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-20060209587-A1 High density memory device THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-09-21 US disclosed
US-7042755-B1 High density non-volatile memory device THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-05-09 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-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
WO-2001003126-A9 HIGH DENSITY NON-VOLATILE MEMORY DEVICE UNIV CALIFORNIA (US) 2002-08-01 WO 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 (3 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-20060009638-A1 Synthesis of porphyrins designed for attachment to electroactive surfaces via one or more carbon tethers SCO2, PPOX, HCCS ALDH1A1 909/4885CYP2A6 819/4885ALDH5A1 210/4885
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 ALDH1A1 72/4885CYP2A6 895/4885ALDH5A1 20/4885
US-20080194839-A1 SYNTHESIS OF PORPHYRINS DESIGNED FOR ATTACHMENT TO ELECTROACTIVE SURFACES VIA ONE OR MORE CARBON TETHERS SCO2, PPOX, HCCS ALDH1A1 909/4885CYP2A6 819/4885ALDH5A1 210/4885

“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.