SCHEMBL417837

SCHEMBL417837

O=Cc1cccc(Cc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.58
MAOB P27338 7/20 0.58
ALDH1A1 P00352 2/20 0.54
CYP2A6 P11509 1/20 0.54
CALM1 P0DP23 1/20 0.52
ELANE P08246 1/20 0.50
UNG P13051 1/20 0.48
IDH1 O75874 1/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
HNF4A P41235 1/20 0.43
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
ACMSD Q8TDX5 1/20 0.41

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
SCHEMBL6852425 0.96 ALDH1A1 (0.52) MAOAMAOBALDH1A1CYP2A6CALM1
SCHEMBL6856786 0.89 MAOA (0.47) MAOAMAOBALDH1A1CYP2A6CALM1
SCHEMBL14632765 0.89 MAOA (0.56) MAOAMAOBALDH1A1CYP2A6CALM1
Diphenylmethane SCHEMBL28055727 0.86 ALDH1A1 (0.74) MAOAMAOBALDH1A1CYP2A6CALM1
SCHEMBL5020713 0.85 MAOA (0.56) MAOAMAOBALDH1A1CYP2A6UNG
SCHEMBL18001507 0.84 HSD17B10 (0.48) MAOAMAOBALDH1A1ELANEUNG
SCHEMBL20546807 0.84 PNMT (0.47) MAOAMAOBALDH1A1
SCHEMBL20546828 0.84 MAOA (0.59) MAOAMAOBALDH1A1CYP2A6ELANE
SCHEMBL20546750 0.84 MAOA (0.62) MAOAMAOBALDH1A1
SCHEMBL30644975 0.84 MAOA (0.62) MAOAMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440357-A Double arylsulfonium salts class compounds of novel base class containing talan and the preparation method and application thereof 同济大学 2018-08-24 CN claimed
EP-0006180-B1 3-PHENOXYBENZYLIDENE AMINES AND 3-BENZYLBENZYLIDENE AMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE TO PREPARE THE CORRESPONDING ALDEHYDES CIBA-GEIGY AG (CH) 1981-02-11 EP claimed
EP-0006180-A1 3-Phenoxybenzylidene amines and 3-benzylbenzylidene amines, process for their preparation and their use to prepare the corresponding aldehydes CIBA-GEIGY AG (CH) 1980-01-09 EP claimed
US-20250257027-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS (US) 2025-08-14 US disclosed
US-12269798-B2 Second generation GRP94-selective inhibitors UNIVERSITY OF KANSAS (US) 2025-04-08 US disclosed
CN-117678323-A Light emitting device 株式会社半导体能源研究所 2024-03-08 CN disclosed
CN-116437707-A Organic semiconductor device, organic EL device, light emitting device, electronic apparatus, and lighting device 株式会社半导体能源研究所 2023-07-14 CN disclosed
US-11629155-B2 Small molecule antagonist compound TAC5 series having toll-like receptor 3/7/8/9 inhibitory function AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2023-04-18 US disclosed
US-20210300872-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2021-09-30 US disclosed
US-20210300872-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2021-09-30 US disclosed
US-20210214372-A1 SMALL MOLECULE ANTAGONIST COMPOUND TAC5 SERIES HAVING TOLL-LIKE RECEPTOR 3/7/8/9 INHIBITORY FUNCTION AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2021-07-15 US disclosed
US-4464391-A Pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-08-07 US disclosed
EP-0039173-B1 PREPARATION OF CYANO SUBSTITUTED BENZYL ESTER INSECTICIDES ICI AMERICAS INC. (US) 1984-06-13 EP disclosed
EP-0039173-A1 Preparation of cyano substituted benzyl ester insecticides ICI AMERICAS INC. (US) 1981-11-04 EP disclosed
US-4280965-A Preparation of cyano substituted benzyl esters ICI AMERICAS INC. (US) 1981-07-28 US disclosed
EP-0025262-A2 Alpha-thio-alpha-aryl-substituted alkanonitriles, process for their preparation, process for preparing alpha-aryl-substituted alkanonitriles and the corresponding carboxylic acids therefrom and process for preparing intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-03-18 EP disclosed
EP-0006180-B1 3-PHENOXYBENZYLIDENE AMINES AND 3-BENZYLBENZYLIDENE AMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE TO PREPARE THE CORRESPONDING ALDEHYDES CIBA-GEIGY AG (CH) 1981-02-11 EP disclosed
US-4231962-A 3-Phenoxybenzylideneamines and 3-benzylbenzylideneamines CIBA-GEIGY CORPORATION (US) 1980-11-04 US disclosed
EP-0006180-A1 3-Phenoxybenzylidene amines and 3-benzylbenzylidene amines, process for their preparation and their use to prepare the corresponding aldehydes CIBA-GEIGY AG (CH) 1980-01-09 EP disclosed
EP-0006155-A1 3-Phenoxybenzyl amines and 3-benzylbenzyl amines and process for their production CIBA-GEIGY AG (CH) 1980-01-09 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 (5 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-12269798-B2 Second generation GRP94-selective inhibitors HSP90B1, HSP90AB2P, HSPE1 MAOA 4825/4885MAOB 4807/4885ALDH1A1 3322/4885
US-11629155-B2 Small molecule antagonist compound TAC5 series having toll-like receptor 3/7/8/9 inhibitory function TLR5, TLR8, TLR9 MAOA 4553/4885MAOB 3121/4885ALDH1A1 4874/4885
US-20210300872-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS HSP90B1, HSP90AB2P, HSPE1 MAOA 4825/4885MAOB 4807/4885ALDH1A1 3322/4885
US-20250257027-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS HSP90B1, HSP90AB2P, HSPE1 MAOA 4820/4885MAOB 4790/4885ALDH1A1 3289/4885
US-20210214372-A1 SMALL MOLECULE ANTAGONIST COMPOUND TAC5 SERIES HAVING TOLL-LIKE RECEPTOR 3/7/8/9 INHIBITORY FUNCTION TLR5, TLR8, TLR9 MAOA 4553/4885MAOB 3121/4885ALDH1A1 4874/4885

“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.