SCHEMBL4876552

SCHEMBL4876552

CC(Cc1ccc(O)c(C=O)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.53
KDM6B O15054 1/20 0.45
ALOX15 P16050 4/20 0.44
KDM4E B2RXH2 3/20 0.44
RECQL P46063 3/20 0.44
HIF1A Q16665 3/20 0.44
HSD17B10 Q99714 3/20 0.44
USP2 O75604 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
HTR2A P28223 2/20 0.44
PTGS2 P35354 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC7A5 Q01650 2/20 0.44
EGFR P00533 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
PTGS1 P23219 1/20 0.44
TBXAS1 P24557 2/20 0.43
ERN1 O75460 5/20 0.43
ALOX12 P18054 3/20 0.42

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
SCHEMBL14870835 1.00 CDK1 (0.53) CDK1KDM6BALOX15KDM4ERECQL
SCHEMBL14742604 0.83 CDK1 (0.59) CDK1ALOX15KDM4ERECQLHIF1A
SCHEMBL17211513 0.82 KDM6B (0.66) KDM6BALOX15KDM4ERECQLHIF1A
SCHEMBL1755353 0.82 KDM6B (0.66) KDM6BALOX15KDM4ERECQLHIF1A
SCHEMBL17414653 0.82 KDM6B (0.66) KDM6BALOX15KDM4ERECQLHIF1A
SCHEMBL30388652 0.82 KDM6B (0.66) KDM6BALOX15KDM4ERECQLHIF1A
SCHEMBL11674803 0.81 SLC7A5 (0.69) CDK1KDM6BALOX15KDM4ERECQL
SCHEMBL5833111 0.81 SLC7A5 (0.69) CDK1KDM6BALOX15KDM4ERECQL
SCHEMBL29733305 0.81 SLC7A5 (0.69) CDK1KDM6BALOX15KDM4ERECQL
SCHEMBL16275203 0.81 CDK1 (0.49) CDK1KDM6BALOX15KDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 US disclosed
US-20080242644-A1 Factor Viia Inhibitor PHARMACYCLICS, INC. (US) 2008-10-02 US disclosed
EP-1751114-A2 FACTOR VIIA INHIBITOR PHARMACYCLICS, INC. (US) 2007-02-14 EP disclosed
WO-2005121102-A2 FACTOR VIIA INHIBITOR PHARMACYCLICS, INC. (US) 2005-12-22 WO 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 (2 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-20080242644-A1 Factor Viia Inhibitor F7, F9, F5 CDK1 1336/4885KDM6B 796/4885ALOX15 2594/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CDK1 55/4885KDM6B 2420/4885ALOX15 4698/4885

“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.