SCHEMBL253442

SCHEMBL253442

Cc1ccc(Cc2ccccc2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.48
KDM1A O60341 1/20 0.48
CYP3A4 P08684 3/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
IDH1 O75874 1/20 0.47
LTA4H P09960 2/20 0.47
SIGMAR1 Q99720 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HNF4A P41235 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
SCHEMBL12107538 0.89 CYP3A4 (0.54) KDM1ACYP3A4KDM4ECYP2C19HIF1A
SCHEMBL14649874 0.86 CYP3A4 (0.47) KDM1ACYP3A4KDM4ECYP2C19HIF1A
SCHEMBL14397402 0.86 CYP3A4 (0.47) KDM1ACYP3A4KDM4ECYP2C19HIF1A
SCHEMBL14922686 0.85 TAAR1 (0.49) CYP3A4LTA4HSIGMAR1
SCHEMBL27589093 0.84 CALM1 (0.48) CALM1CYP3A4KDM4ECYP2C19HIF1A
SCHEMBL12706760 0.83 CYP3A4 (0.48) KDM1ACYP3A4KDM4ECYP2C19HIF1A
SCHEMBL3304087 0.81 CALM1 (0.55) CALM1CYP3A4KDM4ECYP2C19HIF1A
SCHEMBL3300581 0.81 TSHR (0.58) CALM1CYP3A4IDH1LTA4HSIGMAR1
SCHEMBL16933812 0.79 CALM1 (0.52) CALM1CYP3A4KDM4ECYP2C19HIF1A
SCHEMBL12607303 0.78 CYP3A4 (0.77) KDM1ACYP3A4KDM4ECYP2C19HIF1A

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 34 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-20130165660-A1 COMPLEXES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-06-27 US disclosed
EP-2588256-A2 METHOD AND DEVICE FOR DECONTAMINATING POLLUTED MATERIALS Aprochim (FR) 2013-05-08 EP disclosed
WO-2012001247-A2 METHOD AND DEVICE FOR DECONTAMINATING POLLUTED MATERIALS APROCHIM (FR) 2012-01-05 WO disclosed
EP-0435737-B1 Process for the synthesis of benzyltoluene and dibenzyltoluene with low chlorine content ATOCHEM ELF SA (FR) 1995-07-19 EP disclosed
US-5220109-A Contacting with excess alkali metal alcoholate, heating, suspending, distillation ATOCHEM (FR) 1993-06-15 US 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
EP-0306398-A1 Chemical process for the destruction of halogenated organic products ELF ATOCHEM S.A. (FR) 1989-03-08 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-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B CALM1 2533/4885KDM1A 175/4885CYP3A4 84/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B CALM1 2533/4885KDM1A 138/4885CYP3A4 165/4885
US-20250188004-A1 INTEGRATED NAPHTHA REFORMING AND BENZYL TOLUENE PRODUCTION PROCESS FLI1, LIPA, TCF4 CALM1 2069/4885KDM1A 1110/4885CYP3A4 286/4885

“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.