SCHEMBL5097670

SCHEMBL5097670

CCCCCC#Cc1cc(F)c(C(=O)O)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
MMP2 P08253 1/20 0.47
MMP12 P39900 1/20 0.47
PTPN7 P35236 5/20 0.40
HMGCR P04035 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
RECQL P46063 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL2835387 0.89 HAO1 (0.39) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL2833710 0.77 FFAR1 (0.35) FFAR1FFAR4MMP2MMP12PTPN7
SCHEMBL2830660 0.75 MMP2 (0.43) FFAR1FFAR4MMP2MMP12MAPT
SCHEMBL5666494 0.74 MMP2 (0.48) FFAR1FFAR4MMP2MMP12MAPT
SCHEMBL22748649 0.74 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12PTPN7
SCHEMBL2831444 0.74 FFAR1 (0.46) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL6937361 0.73 MMP2 (0.69) FFAR1FFAR4MMP2MMP12MEN1
SCHEMBL20556393 0.72 FFAR1 (0.48) FFAR1FFAR4MMP2MMP12
SCHEMBL5804625 0.72 GPR84 (0.48) FFAR1FFAR4MMP2MMP12GPR84
SCHEMBL9243477 0.72 RARB (0.54) GPR84ALDH1A1PLK1PLK3

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
US-7442475-B2 Cyanopyridone derivatives as liquid crystals MERCK PATENT GMBH (DE) 2008-10-28 US disclosed
US-7442475-B2 Cyanopyridone derivatives as liquid crystals MERCK PATENT GMBH (DE) 2008-10-28 US disclosed
US-20060165916-A1 Cyanopyridone derivatives as liquid crystals MERCK PATENT GMBH (DE) 2006-07-27 US disclosed
EP-1594842-A1 CYANOPYRIDONE DERIVATIVES AS LIQUID CRYSTALS MERCK PATENT GmbH (DE) 2005-11-16 EP disclosed
WO-2004074253-A1 CYANOPYRIDONE DERIVATIVES AS LIQUID CRYSTALS MERCK PATENT GMBH (DE) 2004-09-02 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 (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-20060165916-A1 Cyanopyridone derivatives as liquid crystals EPM2A, ACMSD, CSPP1 FFAR1 2742/4885FFAR4 3123/4885MMP2 465/4885

“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.