SCHEMBL4368693

SCHEMBL4368693

Cc1cccc(CCCO)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
TAAR1 Q96RJ0 1/20 0.40
FABP4 P15090 1/20 0.39
TSHR P16473 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
FFAR1 O14842 1/20 0.37
GCGR P47871 2/20 0.36
DPP4 P27487 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
RXRA P19793 1/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RPA1 P27694 1/20 0.36
MCL1 Q07820 1/20 0.36
MYC P01106 1/20 0.35
HTR7 P34969 2/20 0.35

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
SCHEMBL6546954 0.84 HSD11B1 (0.41) TAAR1TSHRGCGRMCL1
SCHEMBL6547350 0.83 DHFR (0.47) TAAR1GCGRMCL1
SCHEMBL6547458 0.80 TAAR1 (0.44) PDCD1CD274TAAR1FABP4TSHR
SCHEMBL29493080 0.79 TAAR1 (0.56) TAAR1TSHRPOLBKDM4E
SCHEMBL80017 0.79 TAAR1 (0.56) TAAR1TSHRPOLBKDM4E
SCHEMBL1983595 0.79 GABRA1 (0.44) PDCD1CD274TSHRGCGRPOLB
Water SCHEMBL29017465 0.77 TAAR1 (0.54) TAAR1TSHRPOLBKDM4E
SCHEMBL8683332 0.76 SLC6A2 (0.42) PDCD1CD274TAAR1FABP4FFAR1
SCHEMBL79526 0.76 ESR1 (0.43) PDCD1CD274TAAR1PTGER1PTGER4
SCHEMBL3790918 0.76 DPP4 (0.52) PDCD1CD274TAAR1FABP4TSHR

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-7626055-B2 Biphenyl-carboxamide derivatives and their use as p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-12-01 US disclosed
US-20070105850-A1 Biphenyl-carboxamide derivatives and their use as p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2007-05-10 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-20070105850-A1 Biphenyl-carboxamide derivatives and their use as p38 kinase inhibitors MAPK1, MAPKAPK2, MAP3K8 PDCD1 1497/4885CD274 2971/4885TAAR1 1118/4885

“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.