SCHEMBL5950787

SCHEMBL5950787

[CH]=Cc1cccc(NC(C)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HSD17B10 Q99714 2/20 0.58
CYP1A2 P05177 1/20 0.58
RAB9A P51151 4/20 0.53
POLB P06746 1/20 0.53
NR4A1 P22736 1/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 3/20 0.53
LMNA P02545 2/20 0.53
NPC1 O15118 2/20 0.53
NAPRT Q6XQN6 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
NQO2 P16083 1/20 0.47
MAOA P21397 1/20 0.47

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
SCHEMBL527866 0.84 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL5950789 0.82 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL17680839 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL1901172 0.80 ALDH1A1 (0.76) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL1436170 0.78 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL3203883 0.78 PKM (0.68) ALDH1A1HSD17B10CYP1A2RAB9AMAPT
SCHEMBL3203877 0.78 PKM (0.68) ALDH1A1HSD17B10CYP1A2RAB9AMAPT
SCHEMBL7188121 0.78 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL5950783 0.77 SMN1; SMN2 (0.59) ALDH1A1HSD17B10RAB9APOLBMAPT
SCHEMBL21892100 0.77 MAPT (0.58) ALDH1A1HSD17B10CYP1A2RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241132-A1 Spiro derivatives and adhesion molecule inhibitors comprising the same as active ingredient TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2006-10-26 US disclosed
EP-1489081-A1 SPIRO DERIVATIVES AND ADHESION MOLECULE INHIBITORS COMPRISING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2004-12-22 EP 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-20060241132-A1 Spiro derivatives and adhesion molecule inhibitors comprising the same as active ingredient VCAM1, SELL, ICAM1 ALDH1A1 73/4885HSD17B10 679/4885CYP1A2 2159/4885

“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.