SCHEMBL8525199

SCHEMBL8525199

CCCCCC(=O)c1ccc(C)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.72
HTR7 P34969 1/20 0.61
KMT2A Q03164 1/20 0.60
STS P08842 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
GSK3B P49841 1/20 0.53
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL14716821 0.98 HSD17B3 (0.73) HSD17B3HTR7KMT2ASTSL3MBTL1
SCHEMBL19047793 0.98 HSD17B3 (0.73) HSD17B3HTR7KMT2ASTSL3MBTL1
SCHEMBL2082766 0.98 HSD17B3 (0.73) HSD17B3HTR7KMT2ASTSL3MBTL1
SCHEMBL7761755 0.98 HSD17B3 (0.73) HSD17B3HTR7KMT2ASTSL3MBTL1
SCHEMBL8510520 0.98 HSD17B3 (0.73) HSD17B3HTR7KMT2ASTSL3MBTL1
SCHEMBL4839086 0.94 HSD17B3 (0.71) HSD17B3HTR7KMT2ASTSL3MBTL1
SCHEMBL19757422 0.93 HSD17B3 (0.67) HSD17B3HTR7KMT2ASTSL3MBTL1
SCHEMBL19757419 0.93 HSD17B3 (0.67) HSD17B3HTR7KMT2ASTSL3MBTL1
SCHEMBL15657847 0.93 HSD17B3 (0.67) HSD17B3HTR7KMT2ASTSL3MBTL1
SCHEMBL19757459 0.93 HSD17B3 (0.67) HSD17B3HTR7KMT2ASTSL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444458-A Method for realizing migration of remote aromatic heterocycle and direct alkyl heteroaryl of terminal olefin 南京工业大学 2023-07-18 CN disclosed
CN-103613487-B Method for preparing alpha-alkylated ketone by coupling alcohol with alpha-methyl/methylene ketone UNIV NORTHWEST NORMAL 2015-06-17 CN disclosed
CN-103613487-A Method for preparing alpha-alkylated ketone by coupling alcohol with alpha-methyl/methylene ketone UNIV NORTHWEST NORMAL 2014-03-05 CN disclosed
US-7964599-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-06-21 US disclosed
US-20090281104-A1 Therapeutic Compounds ALLERGAN, INC. (US) 2009-11-12 US disclosed
US-7476755-B2 Therapeutic compounds ALLERGAN, INC. (US) 2009-01-13 US disclosed
US-20070259929-A1 Therapeutic Compounds ALLERGAN, INC. 2007-11-08 US disclosed
EP-0766666-B1 BENZYLSULFIDE DERIVATIVE, PROCESS FOR ITS PRODUCTION AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-03-17 EP disclosed
US-5728699-A Benzylsulfide derivative, process for its production and pesticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-03-17 US disclosed
EP-0766666-A1 BENZYLSULFIDE DERIVATIVE, PROCESS FOR ITS PRODUCTION AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1997-04-09 EP disclosed
WO-1996033168-A1 BENZYLSULFIDE DERIVATIVE, PROCESS FOR ITS PRODUCTION AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-10-24 WO disclosed
US-5008452-A Antidepressants, sedatives and anticonvulsants DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1991-04-16 US disclosed
US-4235931-A ANTIDEPRESSANTS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1980-11-25 US disclosed
US-4192818-A ANTIDEPRESSANTS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1980-03-11 US disclosed
US-3937841-A AMINO-OXIME COMPOUNDS U.S. PHILIPS CORPORATION (US) 1976-02-10 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 (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-20070259929-A1 Therapeutic Compounds PIGO, CYC1, COXFA4L2 HSD17B3 2090/4885HTR7 1017/4885KMT2A 4709/4885
US-20090281104-A1 Therapeutic Compounds SLC10A1, ABCB11, GUSB HSD17B3 1285/4885HTR7 1718/4885KMT2A 2896/4885

“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.