SCHEMBL4630749

SCHEMBL4630749

[CH2]CCc1cc(F)cc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.42
DAO P14920 2/20 0.39
CYP17A1 P05093 1/20 0.35
CYP21A2 P08686 1/20 0.35
CYP11B1 P15538 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
AGXT P21549 2/20 0.32
DBH P09172 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL5976699 0.84 IDO1 (0.39) IDO1DAOCYP17A1CYP21A2CYP11B1
SCHEMBL16956937 0.84 CA12 (0.50) IDO1CA12CA1CA9TAAR1
SCHEMBL13822389 0.84 DAO (0.36) IDO1DAOCYP17A1CYP21A2CYP11B1
SCHEMBL16954621 0.84 MAOB (0.33) IDO1DAOCYP17A1CYP21A2CYP11B1
SCHEMBL16953464 0.84 RAPGEF4 (0.35) IDO1DAOCYP17A1CYP21A2CYP11B1
SCHEMBL5975748 0.82 IDO1 (0.38) IDO1DAOCYP17A1CYP21A2CYP11B1
SCHEMBL16105495 0.82 IDO1 (0.50) IDO1DAOCYP17A1CYP21A2CYP11B1
SCHEMBL27959417 0.80 IDO1 (0.37) IDO1DAOCYP17A1CYP21A2CYP11B1
SCHEMBL16959257 0.80 IDO1 (0.38) IDO1DAOTAAR1
SCHEMBL148109 0.77 IDO1 (0.46) IDO1DAOCA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110358445-B Composition for forming water-repellent film and water-repellent film 信越化学工业株式会社 2022-06-17 CN disclosed
US-11118072-B2 Water repellent film-forming composition and water repellent film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-09-14 US disclosed
EP-3553121-B1 WATER REPELLENT FILM-FORMING COMPOSITION AND WATER REPELLENT FILM SHINETSU CHEMICAL CO (JP) 2021-06-09 EP disclosed
CN-110358445-A Water repellent film, which is formed, uses composition and water repellent film 信越化学工业株式会社 2019-10-22 CN disclosed
US-20190315972-A1 WATER REPELLENT FILM-FORMING COMPOSITION AND WATER REPELLENT FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-10-17 US disclosed
EP-3553121-A1 WATER REPELLENT FILM-FORMING COMPOSITION AND WATER REPELLENT FILM Shin-Etsu Chemical Co., Ltd. (JP) 2019-10-16 EP disclosed
CN-107141313-A Transparent oxide electrode and its production method that surface modifier, surface for transparent oxide electrode are modified 信越化学工业株式会社 2017-09-08 CN disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-103848859-A Surface modifier for transparent oxide electrode, surface-modified transparent oxide electrode, and method for producing same SHINETSU CHEMICAL CO 2014-06-11 CN disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-7015345-B2 Propionic acid derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
EP-1484316-A1 NOVEL PROPIONIC ACID DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2004-12-08 EP disclosed
US-20040072690-A1 Novel propionic acid derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2004-04-15 US disclosed
US-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed
EP-0190817-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-09-05 EP disclosed
US-4857540-A 1-SUBSTITUTED-2-MERCAPTO-(OR AMINOMETHYL-)BENZAMIDAZOLE COMPOUNDS SMITHKLINE BECKMAN CORPORATION (US) 1989-08-15 US disclosed
US-4728741-A DOPAMINE BETA-HYDROXYLASE INHIBITOR SMITHKLINE BECKMAN CORPORATION (US) 1988-03-01 US disclosed
EP-0190817-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1986-08-13 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 (1 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-20040072690-A1 Novel propionic acid derivatives PNLIP, LIPC, GPR119 IDO1 4434/4885DAO 1476/4885CYP17A1 285/4885

“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.