SCHEMBL4858083

SCHEMBL4858083

CCCCCc1ccccc1CC(=O)Cc1ccccc1CCCCC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.55
BID P55957 3/20 0.50
MCL1 Q07820 3/20 0.50
BCL2L1 Q07817 2/20 0.50
BAK1 Q16611 2/20 0.50
KAT8 Q9H7Z6 2/20 0.50
PPARA Q07869 2/20 0.50
PPARG P37231 1/20 0.50
EP300 Q09472 1/20 0.50
KAT2A Q92830 1/20 0.50
KAT2B Q92831 1/20 0.50
KAT5 Q92993 1/20 0.50
SAE1 Q9UBE0 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
CYSLTR2 Q9NS75 7/20 0.48
CYSLTR1 Q9Y271 7/20 0.48
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL7341368 0.87 ALDH1A1 (0.58) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL4614435 0.87 LIPG (0.44) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL10599587 0.87 LIPG (0.50) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL11444088 0.85 LIPG (0.56) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL5346786 0.85 LIPG (0.56) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL5509741 0.85 CYSLTR2 (0.56) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL10533245 0.85 CYSLTR2 (0.56) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL8086397 0.85 CYSLTR2 (0.56) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL8086516 0.85 CYSLTR2 (0.56) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL9559902 0.85 CYSLTR2 (0.56) LIPGBIDMCL1BCL2L1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405221-B2 Substituted pyrimidines MERCK & CO., INC. (US) 2008-07-29 US disclosed
US-7271266-B2 Substituted 2,3-diphenyl pyridines MERCK & CO., INC. (US) 2007-09-18 US disclosed
US-20050245554-A1 Substituted pyrimidines MERCK SHARP & DOHME CORP. 2005-11-03 US disclosed
US-20050182103-A1 Substituted 2,3-diphenyl pyridines MERCK SHARP & DOHME CORP. 2005-08-18 US disclosed
EP-1546115-A2 SUBSTITUTED PYRIMIDINES Merck & Co., Inc. (US) 2005-06-29 EP disclosed
EP-1492784-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES Merck & Co., Inc. (US) 2005-01-05 EP disclosed
WO-2004029204-A2 SUBSTITUTED PYRIMIDINES MERCK & CO., INC. (US) 2004-04-08 WO disclosed
WO-2003082191-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES MERCK & CO., INC. (US) 2003-10-09 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-20050182103-A1 Substituted 2,3-diphenyl pyridines CNR1, CNR2, MAG LIPG 1084/4885BID 61/4885MCL1 602/4885
US-20050245554-A1 Substituted pyrimidines CNR1, CNR2, GPR119 LIPG 1086/4885BID 248/4885MCL1 1092/4885

“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.