SCHEMBL4715766

SCHEMBL4715766

COc1cc(C(C)=O)cc2c1OCCO2

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.71
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 3/20 0.56
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 2/20 0.51
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TAS2R8 Q9NYW2 1/20 0.43
CTNNB1 P35222 2/20 0.42
WNT3A P56704 2/20 0.42
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 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
SCHEMBL4712109 0.87 PLK1 (0.55) PLK1ALDH1A1LMNAMAPTTSHR
SCHEMBL30330021 0.87 PLK1 (0.71) PLK1KDM4EALDH1A1POLBTDP1
SCHEMBL6995732 0.87 PLK1 (0.71) PLK1KDM4EALDH1A1POLBTDP1
SCHEMBL11362484 0.86 PLK1 (0.69) PLK1KDM4EALDH1A1POLBTDP1
SCHEMBL2796317 0.86 PLK1 (0.74) PLK1KDM4EALDH1A1POLBTDP1
SCHEMBL11982142 0.86 PLK1 (0.69) PLK1KDM4EALDH1A1POLBTDP1
SCHEMBL11962155 0.83 PLK1 (1.00) PLK1KDM4EALDH1A1POLBTDP1
SCHEMBL26462283 0.79 LMNA (0.50) PLK1KDM4EALDH1A1POLBTDP1
SCHEMBL4713381 0.78 PLK1 (0.59) PLK1KDM4EALDH1A1POLBTDP1
SCHEMBL15988852 0.75 PLK1 (0.49) PLK1KDM4EALDH1A1POLBTDP1

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-2009034029-A2 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-19 WO disclosed
EP-1373257-B9 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2008-10-15 EP disclosed
EP-1373257-B1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2007-11-28 EP disclosed
US-6949544-B2 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-09-27 US disclosed
US-20030087922-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2003-05-08 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-20030087922-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases CDK2, LCK, CDK5 PLK1 215/4885KDM4E 1096/4885ALDH1A1 4705/4885

“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.