SCHEMBL31432811

SCHEMBL31432811

CCOCc1cc(OC)c(C#N)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 4/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL21596790 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10HPGDNPC1
SCHEMBL24340396 0.77 NPC1 (0.41) ALDH1A1KDM4EHSD17B10HPGDNPC1
SCHEMBL31432799 0.77 PTGS2 (0.63) PTGS2CYP3A4HTR2AHTR2CHTR2B
SCHEMBL22016200 0.77 PTGS2 (0.42) ALDH1A1PTGS2HTR2AHTR2CHTR2B
SCHEMBL22017083 0.76 PTGS2 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL31432817 0.76 NPC1 (0.41) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL31432990 0.76 NPC1 (0.44) ALDH1A1KDM4EHSD17B10HPGDNPC1
SCHEMBL24340391 0.76 AR (0.42) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL1023208 0.76 PTGS2 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL4697051 0.75 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1RAB9AAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250129016-A1 PHOTOREDOX METHODS FOR RADIOCYANATION OF ARENES AND USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2025-04-24 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 (1 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-20250129016-A1 PHOTOREDOX METHODS FOR RADIOCYANATION OF ARENES AND USE THEREOF RCC2, PPOX, FTO ALDH1A1 2660/4885KDM4E 290/4885HSD17B10 1374/4885

“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.