SCHEMBL4138519

SCHEMBL4138519

CC(C)C(O)c1ccc2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 5/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 3/20 0.45
KDM4E B2RXH2 4/20 0.42
PRNP P04156 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
MAPK10 P53779 1/20 0.42
NCF1 P14598 3/20 0.42
NOS2 P35228 1/20 0.41
BACE1 P56817 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
HPGD P15428 1/20 0.41
MGAM O43451 1/20 0.40

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
SCHEMBL1261383 0.84 ALDH1A1 (0.54) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2
SCHEMBL19133198 0.80 CYP1A2 (0.48) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2
SCHEMBL12915337 0.80 CYP1A2 (0.48) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2
SCHEMBL827081 0.79 CYP1A2 (0.52) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2
SCHEMBL10020390 0.79 ALDH1A1 (0.53) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2
SCHEMBL4229661 0.78 ALDH1A1 (0.45) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2
Bromide SCHEMBL29161153 0.78 CYP1A2 (0.50) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2
Fluoride SCHEMBL28013942 0.78 CYP1A2 (0.50) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2
SCHEMBL20559366 0.76 NCF1 (0.48) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2
SCHEMBL1261380 0.76 CYP1A2 (0.48) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321730-B2 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-04-26 US claimed
EP-2188259-B1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS UNIV HONG KONG POLYTECHNIC (CN) 2013-11-06 EP claimed
US-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-02-26 US claimed
US-9321730-B2 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-04-26 US disclosed
EP-2188259-B1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS UNIV HONG KONG POLYTECHNIC (CN) 2013-11-06 EP disclosed
WO-2009024095-A1 METHOD OF MAKING AND ADMINISTERING QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2009-02-26 WO disclosed
US-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-02-26 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-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents HCCS, GLS2, NQO1 ALDH1A1 959/4885HSD17B10 2837/4885LMNA 1940/4885

“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.