SCHEMBL1045947

SCHEMBL1045947

OCCCCCCc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.53
▸ TAAR1 Q96RJ0 3/20 0.48
▸ CYP4F2 P78329 1/20 0.47
▸ CYP4A11 Q02928 1/20 0.47
▸ GAA P10253 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ KCNH3 Q9ULD8 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44

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
SCHEMBL8497448 1.00 CA2 (0.53) CA2TAAR1CYP4F2CYP4A11GAA
SCHEMBL8499024 1.00 CA2 (0.53) CA2TAAR1CYP4F2CYP4A11GAA
SCHEMBL8498240 1.00 CA2 (0.53) CA2TAAR1CYP4F2CYP4A11GAA
SCHEMBL8498567 1.00 CA2 (0.53) CA2TAAR1CYP4F2CYP4A11GAA
SCHEMBL8499782 1.00 CA2 (0.53) CA2TAAR1CYP4F2CYP4A11GAA
SCHEMBL8498688 1.00 CA2 (0.53) CA2TAAR1CYP4F2CYP4A11GAA
SCHEMBL8495744 1.00 CA2 (0.53) CA2TAAR1CYP4F2CYP4A11GAA
SCHEMBL1047918 1.00 CA2 (0.53) CA2TAAR1CYP4F2CYP4A11GAA
SCHEMBL8497303 1.00 CA2 (0.53) CA2TAAR1CYP4F2CYP4A11GAA
SCHEMBL1287204 0.98 CA2 (0.52) CA2TAAR1CYP4F2CYP4A11GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 — — EP disclosed
US-10343982-B2 Compounds and mesogenic media MERCK PATENT GMBH (DE) 2019-07-09 — — US disclosed
CN-103958518-B Heterocyclyl pyridyl pyrazoles/heterocyclyl pyrimidines base pyrazoles 拜耳知识产权有限责任公司 2017-07-04 — — CN disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 — — EP disclosed
EP-3049506-B1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-06-14 — — EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 — — US disclosed
US-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-11 — — US disclosed
US-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-11 — — US disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 — — US disclosed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 — — US disclosed
WO-2008016692-A2 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 — — WO disclosed
WO-2008016692-A2 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 — — WO disclosed
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 — — US disclosed
US-5952316-A FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-14 — — US disclosed
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 — — EP disclosed
US-5719176-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-02-17 — — US disclosed
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 — — EP disclosed
US-5604229-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-18 — — US disclosed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 — — WO disclosed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 — — 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-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MTX1, NEFM, MTX2 CA2 1649/4885TAAR1 227/4885CYP4F2 294/4885
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CA2 3091/4885TAAR1 1385/4885CYP4F2 177/4885
US-10343982-B2 Compounds and mesogenic media MTX1, NEFM, MTX2 CA2 1649/4885TAAR1 227/4885CYP4F2 294/4885

“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.

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