SCHEMBL6683496

SCHEMBL6683496

ClCCC(Cl)Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2D6 P10635 2/20 0.42
ACP3 P15309 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
SLC6A4 P31645 1/20 0.39
TACR1 P25103 1/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
CA2 P00918 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CTRC Q99895 1/20 0.36

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
SCHEMBL6680303 0.91 CTNNB1 (0.44) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL6681468 0.88 CTNNB1 (0.42) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL6682634 0.87 CTNNB1 (0.41) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL6686910 0.87 CTNNB1 (0.41) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL6685700 0.85 CTNNB1 (0.47) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL2875219 0.82 SLC6A2 (0.31) SLC6A4
SCHEMBL2873420 0.81 L3MBTL1 (0.38) TDP1CYP1A2CYP2C19CYP2C9HPGD
SCHEMBL16933753 0.79 CYP1A2 (0.52) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL8377380 0.76 TDP1 (0.53) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL2331835 0.76 CYP1A2 (0.50) CTNNB1TDP1CYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3527600-B1 ISOCYANATE COMPOSITION AND PRODUCTION METHOD FOR ISOCYANATE POLYMER ASAHI CHEMICAL IND (JP) 2025-07-09 EP 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
EP-3372579-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2020-10-28 EP disclosed
EP-2915803-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2020-07-22 EP disclosed
US-20190225739-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-07-25 US disclosed
US-10301417-B2 Polyisocyanate composition and isocyanate polymer composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-05-28 US disclosed
US-10125212-B2 Polyisocyanate composition and isocyanate polymer composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-11-13 US disclosed
EP-3372579-A1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2018-09-12 EP disclosed
US-20170298169-A1 Polyisocyanate Composition and Isocyanate Polymer Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-10-19 US disclosed
EP-2915803-A1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION Asahi Kasei Chemicals Corporation (JP) 2015-09-09 EP disclosed
US-20150210631-A1 Polyisocyanate Composition and Isocyanate Polymer Composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-07-30 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 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 (6 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-10301417-B2 Polyisocyanate composition and isocyanate polymer composition PAH, ALKBH1, ALKBH3 CTNNB1 3632/4885TDP1 621/4885CYP1A2 60/4885
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B CTNNB1 4427/4885TDP1 3008/4885CYP1A2 195/4885
US-20170298169-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY CTNNB1 3292/4885TDP1 4009/4885CYP1A2 520/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B CTNNB1 4319/4885TDP1 2789/4885CYP1A2 183/4885
US-10125212-B2 Polyisocyanate composition and isocyanate polymer composition TST, SUDS3, SCLY CTNNB1 3292/4885TDP1 4009/4885CYP1A2 520/4885
US-20150210631-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY CTNNB1 3292/4885TDP1 4009/4885CYP1A2 520/4885

“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.