SCHEMBL16933751

SCHEMBL16933751

CC(Cl)(Cl)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 4/20 0.44
HSD17B10 Q99714 4/20 0.42
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
KEAP1 Q14145 1/20 0.39
ACP3 P15309 2/20 0.39
HPRT1 P00492 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KIF11 P52732 1/20 0.37
PAX8 Q06710 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 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
SCHEMBL11023073 0.86 CYP2A6 (0.44) CYP2A6ALDH1A1CYP1A2HSD17B10TSHR
Ammonia Solution, Strong SCHEMBL23144523 0.84 CYP2A6 (0.43) CYP2A6ALDH1A1CYP1A2HSD17B10TSHR
SCHEMBL29972825 0.81 KIF11 (0.48) CYP2A6ALDH1A1CYP1A2HSD17B10TSHR
SCHEMBL252402 0.81 KIF11 (0.48) CYP2A6ALDH1A1CYP1A2HSD17B10TSHR
SCHEMBL1538546 0.81 CYP2A6 (0.54) CYP2A6ALDH1A1CYP1A2HSD17B10TSHR
SCHEMBL4818310 0.81 KIF11 (0.48) CYP2A6ALDH1A1CYP1A2HSD17B10TSHR
SCHEMBL28297056 0.81 ALDH1A1 (0.48) CYP2A6ALDH1A1CYP1A2HSD17B10TSHR
SCHEMBL18242690 0.79 ALDH1A1 (0.39) CYP2A6ALDH1A1CYP1A2HSD17B10TSHR
SCHEMBL9249690 0.79 CYP1A2 (0.39) CYP2A6ALDH1A1CYP1A2HSD17B10TSHR
SCHEMBL11143179 0.79 CYP1A2 (0.39) CYP2A6ALDH1A1CYP1A2HSD17B10TSHR

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 18 patents. 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
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
EP-3536683-A1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2019-09-11 EP disclosed
EP-3527600-A1 ISOCYANATE COMPOSITION AND PRODUCTION METHOD FOR ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-08-21 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

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 CYP2A6 1041/4885ALDH1A1 427/4885CYP1A2 60/4885
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B CYP2A6 681/4885ALDH1A1 643/4885CYP1A2 195/4885
US-20170298169-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY CYP2A6 911/4885ALDH1A1 2991/4885CYP1A2 520/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B CYP2A6 669/4885ALDH1A1 666/4885CYP1A2 183/4885
US-10125212-B2 Polyisocyanate composition and isocyanate polymer composition TST, SUDS3, SCLY CYP2A6 911/4885ALDH1A1 2991/4885CYP1A2 520/4885
US-20150210631-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY CYP2A6 911/4885ALDH1A1 2991/4885CYP1A2 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.