SCHEMBL5565263

SCHEMBL5565263

CCCCCC(=O)c1ccc(C)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.61
HTR7 P34969 1/20 0.51
THRA P10827 2/20 0.51
THRB P10828 2/20 0.51
STS P08842 4/20 0.48
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
HTT P42858 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL5565698 0.87 HSD17B3 (0.57) HSD17B3THRATHRBSTSUSP2
SCHEMBL5078148 0.86 HDAC3 (0.55) ALDH1A1LMNAMAPTTSHRHTT
SCHEMBL27318923 0.85 HSD17B3 (0.63) HSD17B3THRATHRBSTSALDH1A1
SCHEMBL29180345 0.84 HSD17B3 (0.45) HSD17B3THRATHRBALDH1A1LMNA
SCHEMBL7390784 0.84 HSD17B3 (0.45) HSD17B3THRATHRBALDH1A1LMNA
SCHEMBL10897477 0.83 HSD17B3 (0.57) HSD17B3HTR7THRATHRBSTS
SCHEMBL23748657 0.83 HSD17B3 (0.54) HSD17B3HTR7THRATHRBSTS
SCHEMBL27939427 0.83 HSD17B3 (0.57) HSD17B3HTR7THRATHRBSTS
SCHEMBL18753070 0.82 HSD17B3 (0.84) HSD17B3HTR7THRATHRBSTS
SCHEMBL5660140 0.82 LMNA (0.48) HSD17B3THRATHRBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734517-B1 BENZAMIDES MERCK PATENT GMBH (DE) 2017-08-30 EP disclosed
EP-1745004-B1 ARYL KETONE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2016-05-18 EP disclosed
US-8445514-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-21 US disclosed
US-20110269768-A1 UROTENSIN II RECEPTOR ANTAGONISTS KINNEY WILLIAM A 2011-11-03 US disclosed
EP-1745004-A4 ARYL KETONE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2007-05-09 EP disclosed
EP-1745004-A2 ARYL KETONE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2007-01-24 EP disclosed
WO-2005117854-A2 ARYL KETONE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2005-12-15 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-20110269768-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, BDKRB2, AGTR2 HSD17B3 2767/4885HTR7 670/4885THRA 460/4885

“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.