SCHEMBL5097679

SCHEMBL5097679

CCC#CCCCc1ccc(F)c(C(=O)O)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 6/20 0.35
MCL1 Q07820 6/20 0.35
BCL2L1 Q07817 5/20 0.35
BAK1 Q16611 5/20 0.35
PPARA Q07869 3/20 0.35
KAT8 Q9H7Z6 2/20 0.35
PPARG P37231 2/20 0.35
SAE1 Q9UBE0 2/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT5 Q92993 1/20 0.35
METAP2 P50579 1/20 0.34
PLK1 P53350 2/20 0.33
PLK3 Q9H4B4 1/20 0.32
FABP4 P15090 1/20 0.31
MMP2 P08253 2/20 0.31
F7 P08709 2/20 0.31
F3 P13726 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7799718 0.78 METAP2 (0.39) METAP2PLK1FABP4MAPT
SCHEMBL2834374 0.73 DPP4 (0.31) FABP4
SCHEMBL2835353 0.71 CYP3A4 (0.42) MCL1PLK1PLK3MMP2KDM4E
SCHEMBL20184233 0.71 METAP2 (0.38) METAP2FABP4MMP2KDM4EHSD17B10
SCHEMBL1671719 0.71 CES2 (0.40) METAP2
SCHEMBL18006678 0.69 ALDH1A1 (0.42) KDM4EMAPT
SCHEMBL28013873 0.68 TYR (0.39) METAP2PLK1PLK3MAPTALOX15
SCHEMBL28347885 0.68 LMNA (0.41) KDM4EMAPT
SCHEMBL24908622 0.68 RIPK1 (0.41) METAP2
SCHEMBL2835128 0.67 FFAR1 (0.35) METAP2FABP4

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-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 BID 3679/4885MCL1 4559/4885BCL2L1 2644/4885

“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.