SCHEMBL4155007

SCHEMBL4155007

COCc1ccc(/C=C/c2n[nH]c3ccc(C(=O)O)c(OC)c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
AURKA O14965 3/20 0.35
KDR P35968 7/20 0.34
PDCD1 Q15116 3/20 0.34
CD274 Q9NZQ7 3/20 0.34
CHEK1 O14757 3/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33

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
SCHEMBL4155011 1.00 FFAR1 (0.35) FFAR1PPARGPPARDPPARAAURKA
SCHEMBL4143646 0.90 AURKA (0.36) AURKAKDRCHEK1CCNA2CDK2
SCHEMBL4143648 0.90 AURKA (0.36) AURKAKDRCHEK1CCNA2CDK2
SCHEMBL4140696 0.89 KDR (0.37) AURKAKDRCHEK1CCNA2CDK2
SCHEMBL4140702 0.89 KDR (0.37) AURKAKDRCHEK1CCNA2CDK2
SCHEMBL4144465 0.88 AURKA (0.42) AURKAKDRCHEK1CCNA2CDK2
SCHEMBL4144461 0.88 AURKA (0.42) AURKAKDRCHEK1CCNA2CDK2
SCHEMBL4136051 0.87 TUBB4A (0.38) AURKAKDRCHEK1CCNA2CDK2
SCHEMBL4144227 0.87 NPC1 (0.44) AURKAHDAC3HDAC1HDAC2HDAC8
SCHEMBL4136045 0.87 TUBB4A (0.38) AURKAKDRCHEK1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B FFAR1 1711/4885PPARG 239/4885PPARD 441/4885

“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.