SCHEMBL8975468

SCHEMBL8975468

CCCc1cc(-c2cc(CCC)c(O)c(CCC)c2)cc(CCC)c1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.44
HMGCR P04035 1/20 0.43
GABRA1 P14867 7/20 0.41
GABRB2 P47870 7/20 0.41
PRKCI P41743 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN11 Q06124 1/20 0.39
DHFR P00374 1/20 0.39
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PTGS2 P35354 3/20 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
SCHEMBL20176655 0.91 ALOX5 (0.40) ALOX5HMGCRGABRA1GABRB2PRKCI
SCHEMBL1022126 0.87 PTPN1 (0.47) ALOX5GABRA1GABRB2PTPN1
SCHEMBL11612512 0.86 CA1 (0.54) ALOX5HMGCRGABRA1GABRB2PRKCI
SCHEMBL5140860 0.85 TYR (0.50) ALOX5PTGS2
SCHEMBL1760574 0.84 PTPN1 (0.53) ALOX5HMGCRGABRA1GABRB2PRKCI
SCHEMBL21790849 0.84 CA1 (0.57) ALOX5HMGCRGABRA1GABRB2GABRA5
SCHEMBL21790848 0.84 CA1 (0.63) ALOX5GABRA1GABRB2GABRA5GABRA3
SCHEMBL1022177 0.82 PTPN1 (0.47) ALOX5GABRA1GABRB2PTPN1DHFR
SCHEMBL1021760 0.82 AMY1A (0.47) ALOX5HMGCRGABRA1GABRB2PRKCI
SCHEMBL1023215 0.82 DHFR (0.45) ALOX5HMGCRGABRA1GABRB2PRKCI

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
US-10329243-B2 Biphenyl derivative and uses thereof XI'AN LIBANG PHARMACEUTICAL CO., LTD (CN) 2019-06-25 US disclosed
US-10329243-B2 Biphenyl derivative and uses thereof XI'AN LIBANG PHARMACEUTICAL CO., LTD (CN) 2019-06-25 US disclosed
US-20180141895-A1 DIPHENYL DERIVATIVE AND USES THEREOF XI'AN LIBANG PHARMACEUTICAL CO., LTD (CN) 2018-05-24 US disclosed
US-20180141895-A1 DIPHENYL DERIVATIVE AND USES THEREOF XI'AN LIBANG PHARMACEUTICAL CO., LTD (CN) 2018-05-24 US disclosed
US-20180141895-A1 DIPHENYL DERIVATIVE AND USES THEREOF XI'AN LIBANG PHARMACEUTICAL CO., LTD (CN) 2018-05-24 US disclosed
EP-3246304-A2 DIPHENYL DERIVATIVE AND USES THEREOF Xi'an Libang Pharmaceutical Co., Ltd (CN) 2017-11-22 EP disclosed
EP-3246304-A2 DIPHENYL DERIVATIVE AND USES THEREOF Xi'an Libang Pharmaceutical Co., Ltd (CN) 2017-11-22 EP disclosed
WO-2016112875-A2 DIPHENYL DERIVATIVE AND USES THEREOF 西安力邦制药有限公司 2016-07-21 WO disclosed
US-9315435-B2 Method for producing hydroxyphenylcyclohexanol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20150141707-A1 METHOD FOR PRODUCING HYDROXYPHENYLCYCLOHEXANOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-21 US disclosed
EP-2842930-A1 METHOD FOR PRODUCING HYDROXYPHENYLCYCLOHEXANOL COMPOUND Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
EP-0458417-B1 Adducts of phenolic compounds and cyclic terpenes and derivatives of said adducts SHELL INT RESEARCH (NL) 1996-04-17 EP disclosed
US-5141974-A Curable polyepoxide and phenolic resin copolymer; molding material for encapsulating electrical components SHELL OIL COMPANY (US) 1992-08-25 US disclosed
EP-0458417-A2 Adducts of phenolic compounds and cyclic terpenes and derivatives of said adducts SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-11-27 EP disclosed
EP-0403022-A2 Encapsulating epoxy resin composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-12-19 EP 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 (3 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-20150141707-A1 METHOD FOR PRODUCING HYDROXYPHENYLCYCLOHEXANOL COMPOUND HSD11B2, CYP21A2, CYP11B2 ALOX5 2196/4885HMGCR 600/4885GABRA1 1252/4885
US-10329243-B2 Biphenyl derivative and uses thereof PPARD, PCSK9, UGT2B7 ALOX5 741/4885HMGCR 698/4885GABRA1 140/4885
US-20180141895-A1 DIPHENYL DERIVATIVE AND USES THEREOF PPARD, DPP3, DPP7 ALOX5 654/4885HMGCR 1193/4885GABRA1 547/4885

“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.