SCHEMBL305953

SCHEMBL305953

COC(=O)OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.50
NAAA Q02083 2/20 0.42
HTT P42858 2/20 0.40
CYP19A1 P11511 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL188023 0.98 EPHX1 (0.53) EPHX1NAAAHTTCYP19A1CA12
SCHEMBL10598881 0.98 EPHX1 (0.53) EPHX1NAAAHTTCYP19A1CA12
SCHEMBL11591329 0.98 EPHX1 (0.53) EPHX1NAAAHTTCYP19A1CA12
SCHEMBL11593674 0.98 EPHX1 (0.53) EPHX1NAAAHTTCYP19A1CA12
SCHEMBL11589164 0.98 EPHX1 (0.53) EPHX1NAAAHTTCYP19A1CA12
SCHEMBL873000 0.98 EPHX1 (0.53) EPHX1NAAAHTTCYP19A1CA12
SCHEMBL8582705 0.98 EPHX1 (0.53) EPHX1NAAAHTTCYP19A1CA12
SCHEMBL1081048 0.95 EPHX1 (0.52) EPHX1NAAAHTTCYP19A1CA12
SCHEMBL698655 0.95
SCHEMBL10344338 0.95 EPHX1 (0.45) EPHX1NAAAHTTCYP19A1CA12

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 364 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US claimed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US claimed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP claimed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US claimed
US-7625943-B2 5-alkyl-7-alkylcarbonate-isoflavone ester and related method ROBERTS WILLIAM J 2009-12-01 US claimed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP claimed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US claimed
US-20050113354-A1 Bioavailable prodrugs of androgenic steroids and related method ROBERTS WILLIAM J (US) 2005-05-26 US claimed
US-20050065354-A1 5-alkyl-7-alkylcarbonate-isoflavone ester and related method ROBERTS WILLIAM J (US) 2005-03-24 US claimed
US-6818668-B2 ADMINISTERING PRODRUGS OF METABOLITES SUCH AS 5-METHYL-7-ETHYL CARBONATE-ISOFLAVONE, TO INCREASING CONCENTRATION OF FLAVONOIDS BIOTEST LABORATORIES, LLC 2004-11-16 US claimed
US-6740646-B2 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2004-05-25 US claimed
EP-1398314-A1 CARBAPENEM COMPOUND Kyoto Pharmaceutical Industries, Ltd. (JP) 2004-03-17 EP claimed
WO-2003087083-A1 5-ALKYL-7-ALKYLCARBONATE-ISOFLAVONE ESTER AS ISOFLAVONE PRODRUG BIOTEST LABORATORIES, LLC (US) 2003-10-23 WO claimed
US-20030195245-A1 5-alkyl-7-alkylcarbonate-isoflavone ester and related method BIOTEST LABORATORIES, LLC 2003-10-16 US claimed
US-20030134830-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2003-07-17 US claimed
EP-1319406-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 EP claimed
US-20030069204-A1 Strain of streptomyces SANKYO COMPANY LIMITED (JP) 2003-04-10 US claimed
US-6472384-B1 Antimicrobial compounds SANKYO COMPANY, LIMITED (JP) 2002-10-29 US claimed
EP-1095947-A1 NOVEL ANTIBACTERIAL COMPOUNDS Sankyo Company Limited (JP) 2001-05-02 EP claimed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20030195245-A1 5-alkyl-7-alkylcarbonate-isoflavone ester and related method CYP2A7, CYP8B1, CYP3A7 EPHX1 1230/4885NAAA 517/4885HTT 2972/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM EPHX1 3352/4885NAAA 44/4885HTT 3371/4885
US-20030069204-A1 Strain of streptomyces O60361, CYP8B1, MRPS34 EPHX1 769/4885NAAA 220/4885HTT 3854/4885
US-20050065354-A1 5-alkyl-7-alkylcarbonate-isoflavone ester and related method CYP2A7, CYP8B1, CYP3A7 EPHX1 1245/4885NAAA 519/4885HTT 2953/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 EPHX1 2234/4885NAAA 460/4885HTT 4266/4885

“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.