SCHEMBL4425518

SCHEMBL4425518

O=C(OC1CCCCC1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
CYP19A1 P11511 3/20 0.45
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CYP2C19 P33261 1/20 0.40
NAAA Q02083 2/20 0.39
GPR35 Q9HC97 2/20 0.39
HTT P42858 2/20 0.38
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34

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
SCHEMBL27976432 0.98 CYP19A1 (0.42) EPHX1CYP19A1CA12CA1CA2
Hydrazine SCHEMBL3862636 0.96 CYP19A1 (0.42) EPHX1CYP19A1CA12CA1CA2
SCHEMBL15995376 0.93 CYP19A1 (0.39) EPHX1CYP19A1CA12CA1CA2
Phosphoric Acid SCHEMBL31077872 0.90 CYP19A1 (0.38) EPHX1CYP19A1CA12CA1CA2
SCHEMBL398217 0.88 GPR35 (0.34) EPHX1CYP19A1GPR35
SCHEMBL28310854 0.84 CYP19A1 (0.39) EPHX1CYP19A1CA12CA1CA2
Hydrazine SCHEMBL22505628 0.84 GPR35 (0.33) CYP19A1GPR35
SCHEMBL1419796 0.84 EPHX1 (0.40) EPHX1CYP19A1CA12CA1CA2
SCHEMBL686006 0.83 CYP19A1 (0.50) EPHX1CYP19A1CA12CA1CA2
SCHEMBL20445673 0.83 CYP19A1 (0.46) EPHX1CYP19A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9427777-B2 Process for producing charge retention medium ASAHI GLASS COMPANY, LIMITED (JP) 2016-08-30 US claimed
CN-1898234-A Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORP (US) 2007-01-17 CN claimed
CN-1045084-C Novel compound with platelet aggregation inhibitor activity MEJI SEIKA KABUSHIKI KAISHA (JP) 1999-09-15 CN claimed
CN-1107277-A Novel compound having platelet aggregation inhibiting effect MEIJI SEIKA CO (JP) 1995-08-23 CN claimed
US-20240218021-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-07-04 US disclosed
US-11999688-B2 Method for producing dicarboxylic acid DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2024-06-04 US disclosed
WO-2021104486-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2021-06-03 WO disclosed
US-20210147331-A1 METHOD FOR PRODUCING DICARBOXYLIC ACID DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2021-05-20 US disclosed
CN-110615736-B Preparation method of dicarboxylic acid 中国科学院大连化学物理研究所 2021-01-26 CN disclosed
CN-110615736-A Preparation method of dicarboxylic acid 中国科学院大连化学物理研究所 2019-12-27 CN disclosed
WO-2019242038-A1 METHOD FOR PREPARING DICARBOXYLIC ACID 中国科学院大连化学物理研究所 2019-12-26 WO disclosed
CN-104364246-B Piperidine derivatives useful as GPR119 agonists 株式会社钟根堂 2018-05-22 CN disclosed
EP-1710223-A1 PROCESS FOR PRODUCING ALDEHYDE COMPOUND OR KETONE COMPOUND WITH USE OF MICROREACTOR Ube Industries, Ltd. (JP) 2006-10-11 EP disclosed
US-5786505-A TREATING HYDROCARBON IN ACID SOLUTION WITH OXYGEN COMPOUND AND REACTANT METAL ION REDUCING AGENT BATTELLE MEMORIAL INSTITUTE (US) 1998-07-28 US disclosed
WO-1998008784-A2 METHOD OF PHOTOCATALYTIC CONVERSION OF C-H ORGANICS BATTELLE MEMORIAL INSTITUTE (US) 1998-03-05 WO disclosed
US-5708246-A TO ESTERS BATTELLE MEMORIAL INSTITUTE (US) 1998-01-13 US disclosed
US-5585515-A REDOX SYSTEM PRODUCING AN ALCOHOL BATTELLE MEMORIAL INSTITUTE (US) 1996-12-17 US disclosed
EP-0581845-A1 METHOD AND REACTION PATHWAY FOR SELECTIVELY OXIDIZING ORGANIC COMPOUNDS BATTELLE MEMORIAL INSTITUTE (US) 1994-02-09 EP disclosed
WO-1992017425-A1 METHOD AND REACTION PATHWAY FOR SELECTIVELY OXIDIZING ORGANIC COMPOUNDS BATTELLE MEMORIAL INSTITUTE (US) 1992-10-15 WO disclosed
US-4761506-A CATALYTIC HYDROGENATION OF ESTERS OF PERFLUORACETIC ACID ESTERS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-08-02 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 (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-20210147331-A1 METHOD FOR PRODUCING DICARBOXYLIC ACID MCCC2, PCCA, PC EPHX1 2682/4885CYP19A1 201/4885CA12 500/4885
US-20240218021-A1 CYCLIN INHIBITORS CCNI, CCNC, CDK2 EPHX1 2798/4885CYP19A1 165/4885CA12 3760/4885
US-11999688-B2 Method for producing dicarboxylic acid MCCC2, PCCA, PC EPHX1 2682/4885CYP19A1 201/4885CA12 500/4885

“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.