SCHEMBL253441

SCHEMBL253441

Cc1ccccc1Cc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.50
IDO1 P14902 3/20 0.48
PNMT P11086 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
AOC3 Q16853 1/20 0.42
CNR2 P34972 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL16933811 0.85 PNMT (0.52) TAAR1IDO1PNMT
SCHEMBL11192895 0.85 MEN1 (0.48) TAAR1IDO1PNMTSMN1; SMN2LMNA
SCHEMBL29519238 0.85 IDO1 (0.62) TAAR1IDO1PNMTLMNASLC6A2
SCHEMBL29477327 0.85 TAAR1 (0.56) TAAR1LMNACNR2
SCHEMBL2090458 0.85 TAAR1 (0.56) TAAR1LMNACNR2
SCHEMBL672407 0.85 IDO1 (0.62) TAAR1IDO1PNMTLMNASLC6A2
SCHEMBL10939079 0.84 SMN1; SMN2 (0.46) TAAR1IDO1PNMTSMN1; SMN2LMNA
SCHEMBL11200954 0.83 TAAR1 (0.54) TAAR1LMNACNR2
SCHEMBL29772212 0.83 TAAR1 (0.54) TAAR1LMNACNR2
SCHEMBL10543426 0.82 P2RX7 (0.45) TAAR1IDO1SMN1; SMN2LMNASLC6A2

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
JP-4139137-A None JP disclosed
EP-3527600-B1 ISOCYANATE COMPOSITION AND PRODUCTION METHOD FOR ISOCYANATE POLYMER ASAHI CHEMICAL IND (JP) 2025-07-09 EP disclosed
US-20250188004-A1 INTEGRATED NAPHTHA REFORMING AND BENZYL TOLUENE PRODUCTION PROCESS SAUDI ARABIAN OIL COMPANY (SA) 2025-06-12 US disclosed
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-04-13 US disclosed
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-10 US disclosed
CN-109803992-B Isocyanate composition and method for producing isocyanate polymer 旭化成株式会社 2022-05-24 CN disclosed
CN-109843963-B Isocyanate composition, method for producing isocyanate polymer, and isocyanate polymer 旭化成株式会社 2022-05-13 CN disclosed
EP-3536683-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2021-11-24 EP disclosed
US-11174337-B2 Isocyanate composition, method for producing isocyanate polymer and isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-11-16 US disclosed
CN-107963982-B Polyisocyanate composition and isocyanate polymer composition 旭化成株式会社 2021-11-12 CN disclosed
US-5202514-A Using sodium methoxide ATOCHEM (FR) 1993-04-13 US disclosed
EP-0306398-B1 CHEMICAL PROCESS FOR THE DESTRUCTION OF HALOGENATED ORGANIC PRODUCTS ELF ATOCHEM S.A. (FR) 1993-02-03 EP disclosed
JP-H04139137-A SYNTHESIS OF BENZYLTOLUENE AND DIBENZYLTOLUENE HAVING LOW CHLORINE CONTENT SOC ATOCHEM 1992-05-13 JP disclosed
EP-0435737-A1 Process for the synthesis of benzyltoluene and dibenzyltoluene with low chlorine content ELF ATOCHEM S.A. (FR) 1991-07-03 EP disclosed
US-4814483-A IRON CHLORIDE CATALYZED REACTION BAYER AKTIENGESELLSCHAFT (DE) 1989-03-21 US disclosed
EP-0306398-A1 Chemical process for the destruction of halogenated organic products ELF ATOCHEM S.A. (FR) 1989-03-08 EP disclosed
EP-0226152-B1 PROCESS FOR PREPARING OPTIONALLY-SUBSTITUTED 2-BENZYL TOLUENES BAYER AG (DE) 1989-01-18 EP disclosed
EP-0226152-A1 Process for preparing optionally-substituted 2-benzyl toluenes BAYER AG (DE) 1987-06-24 EP disclosed
EP-0092454-B1 HALOGENATED AROMATIC ISOCYANATES OR THEIR MIXTURES HAVING A DIPHENYL-METHANE STRUCTURE ELF ATOCHEM S.A. (FR) 1985-11-27 EP disclosed
US-4260506-A Hydraulic pressure device utilizing biodegradable halogenated diphenyl methanes MONSANTO COMPANY (US) 1981-04-07 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-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B TAAR1 4327/4885IDO1 65/4885PNMT 2353/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B TAAR1 4155/4885IDO1 52/4885PNMT 2212/4885
US-20250188004-A1 INTEGRATED NAPHTHA REFORMING AND BENZYL TOLUENE PRODUCTION PROCESS FLI1, LIPA, TCF4 TAAR1 679/4885IDO1 1977/4885PNMT 598/4885

“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.