SCHEMBL3610282

SCHEMBL3610282

COc1ccc(OC)c(C(=O)CO)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.62
MAPT P10636 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HSD11B1 P28845 1/20 0.58
TSHR P16473 4/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 5/20 0.55
ABCG2 Q9UNQ0 1/20 0.54
POLB P06746 1/20 0.54
HSD17B10 Q99714 2/20 0.53
TP53 P04637 1/20 0.53
GLA P06280 1/20 0.53
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50

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
SCHEMBL5743965 0.86 HTT (0.62) HTTMAPTNPSR1MEN1KMT2A
SCHEMBL29514451 0.86 HTT (0.62) HTTMAPTNPSR1MEN1KMT2A
SCHEMBL1172826 0.86 SMN1; SMN2 (0.63) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL29584738 0.84 HTT (0.60) HTTMAPTNPSR1MEN1KMT2A
SCHEMBL628989 0.84 HTT (0.60) HTTMAPTNPSR1MEN1KMT2A
SCHEMBL7025214 0.84 MAPT (0.60) HTTMAPTNPSR1MEN1KMT2A
SCHEMBL30016497 0.84 HTT (0.60) HTTMAPTNPSR1MEN1KMT2A
SCHEMBL8286973 0.84 HTT (0.60) HTTMAPTNPSR1MEN1KMT2A
SCHEMBL29582982 0.84 MAPT (0.60) HTTMAPTNPSR1MEN1KMT2A
SCHEMBL2205896 0.84 HTT (0.60) HTTMAPTNPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013018626-A1 METHOD FOR PRODUCING ALPHA-KETOALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-07 WO disclosed
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
US-4831051-A CALCIUM ANTAGONIST; ANTIARRHYTHMIA, HYPOTENSIVE AND CARDIOTONIC AGENTS; VASODILATION DELANDE S.A. (FR) 1989-05-16 US disclosed
US-4732896-A ANTAGONIST TO CALCIUM DELALANDE S.A. (FR) 1988-03-22 US disclosed
US-4536500-A ANTAGONISTIC ACTIVITY TO CALCIUM DELALANDE S.A. (FR) 1985-08-20 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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 HTT 3982/4885MAPT 680/4885NPSR1 2352/4885

“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.