SCHEMBL397691

SCHEMBL397691

[CH2]CCCc1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
CHRM2 P08172 1/20 0.42
DAO P14920 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ACHE P22303 2/20 0.39
TSHR P16473 1/20 0.39
CTBP2 P56545 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
KMT2A Q03164 1/20 0.37
P2RX7 Q99572 1/20 0.37
CYP2A13 Q16696 1/20 0.36
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL27498434 0.98 TAAR1 (0.54) TAAR1CHRM2DAOCA12CA1
SCHEMBL1611321 0.93 TAAR1 (0.54) TAAR1CHRM2DAOCA12CA1
SCHEMBL1610409 0.91 TAAR1 (0.52) TAAR1CHRM2DAOCA12CA1
SCHEMBL1610545 0.91 TAAR1 (0.52) TAAR1CHRM2DAOCA12CA1
SCHEMBL1610239 0.91 TAAR1 (0.52) TAAR1CHRM2DAOCA12CA1
SCHEMBL9303855 0.91 TAAR1 (0.52) TAAR1CHRM2DAOCA12CA1
SCHEMBL369841 0.86 TAAR1 (0.60) TAAR1CHRM2DAOCA12CA1
SCHEMBL6546881 0.85 TAAR1 (0.65) TAAR1CHRM2DAOCA12CA1
SCHEMBL6546757 0.85 TAAR1 (0.65) TAAR1CHRM2DAOCA12CA1
SCHEMBL8094982 0.83 TAAR1 (0.62) TAAR1CHRM2DAOCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137851-B Plasticizer compositions comprising polymeric dicarboxylate and dicarboxylic diester 巴斯夫欧洲公司 2020-10-09 CN claimed
EP-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP claimed
EP-0664802-A1 N-ARYLHETEROARYLALKYL 1-PHENYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1995-08-02 EP claimed
EP-0234944-A1 Insecticidal N'-substituted-N-acyl-N'-alkylcarbonylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-02 EP claimed
US-20230018615-A1 STEROIDS AND METHODS OF MANUFACTURE TRUSTEES OF DARTMOUTH COLLEGE 2023-01-19 US disclosed
CN-115197139-A Preparation method of roxasistat and intermediate thereof 南京方生和医药科技有限公司 2022-10-18 CN disclosed
CN-114551770-A Organic electroluminescent device 固安鼎材科技有限公司 2022-05-27 CN disclosed
EP-3153023-B1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE TAKEDA PHARMACEUTICALS CO (JP) 2022-03-16 EP disclosed
US-20210253566-A1 CYTOCHROME P450 INHIBITORS AND USES THEREOF ANGION BIOMEDICA CORP. 2021-08-19 US disclosed
CN-112961149-A Cytochrome P450 inhibitors and uses thereof 安吉恩生物医药公司 2021-06-15 CN disclosed
US-20210171515-A1 CYTOCHROME P450 INHIBITORS AND USES THEREOF ANGION BIOMEDICA CORP. 2021-06-10 US disclosed
EP-3180335-B1 CYTOCHROME P450 INHIBITORS AND USES THEREOF ANGION BIOMEDICA CORP (US) 2021-05-05 EP disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0318893-A2 Titanocenes, their use and N-substituted fluoroanilines CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed
US-4559083-A CONTROLLING MONO-AND DICOTYLEDONOUS WEEDS USING A MIXTURE ALSO INCLUDING A DILUENT AND SURFACTANT ESZAKMAGYARORSZAGI VEGYIMUVEK (HU) 1985-12-17 US disclosed
EP-0054132-B1 PYRIMIDONES, THEIR PREPARATION AND MEDICINES CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-10-10 EP disclosed
US-4379788-A HYPOTENSIVES, ANTIARRHYTHMIA, B-BLOCKERS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-04-12 US disclosed
EP-0054132-A1 Pyrimidones, their preparation and medicines containing them Dr. Karl Thomae GmbH (DE) 1982-06-23 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-20210171515-A1 CYTOCHROME P450 INHIBITORS AND USES THEREOF CYP7A1, CYP2E1, CYP11B1 TAAR1 3430/4885CHRM2 3225/4885DAO 1665/4885
US-20230018615-A1 STEROIDS AND METHODS OF MANUFACTURE HSD17B7, HSD11B1, HSD11B2 TAAR1 1654/4885CHRM2 4777/4885DAO 3532/4885
US-20210253566-A1 CYTOCHROME P450 INHIBITORS AND USES THEREOF CYP7A1, CYP2E1, CYP1A2 TAAR1 3292/4885CHRM2 3204/4885DAO 1599/4885

“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.