SCHEMBL9252334

SCHEMBL9252334

CC(Br)(Br)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
CYP2A6 P11509 4/20 0.46
HSD17B10 Q99714 5/20 0.43
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 6/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 1/20 0.41
KEAP1 Q14145 1/20 0.41
HPRT1 P00492 1/20 0.40
ACP3 P15309 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KIF11 P52732 1/20 0.38
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.37

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
SCHEMBL4818310 0.83 KIF11 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL29972825 0.83 KIF11 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL28297056 0.83 ALDH1A1 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL252402 0.83 KIF11 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL3779049 0.81 KIF11 (0.47) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL3779052 0.81 KIF11 (0.47) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL24659266 0.80 CYP1A2 (0.42) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL1538715 0.80 ALDH1A1 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL16933751 0.79 CYP2A6 (0.44) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL14962517 0.79 ALDH1A1 (0.44) ALDH1A1CYP2A6HSD17B10TSHRTDP1

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 23 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
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
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-0561948-B1 PHOSPHONIC ACID DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS UPJOHN CO (US) 1995-04-05 EP disclosed
EP-0622373-A1 Phosphonic acid derivatives useful as anti-inflammatory agents THE UPJOHN COMPANY (US) 1994-11-02 EP disclosed
US-5360797-A Bisphosphonic acid derivatives useful as anti-arthritic agents THE UPJOHN COMPANY (US) 1994-11-01 US disclosed
US-5298498-A Antiarthritic agents THE UPJOHN COMPANY (US) 1994-03-29 US disclosed
WO-1992010504-A2 PHOSPHONIC ACID DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1992-06-25 WO 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-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B ALDH1A1 643/4885CYP2A6 681/4885HSD17B10 386/4885
US-20170298169-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY ALDH1A1 2991/4885CYP2A6 911/4885HSD17B10 592/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B ALDH1A1 666/4885CYP2A6 669/4885HSD17B10 331/4885
US-10125212-B2 Polyisocyanate composition and isocyanate polymer composition TST, SUDS3, SCLY ALDH1A1 2991/4885CYP2A6 911/4885HSD17B10 592/4885
US-20150210631-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY ALDH1A1 2991/4885CYP2A6 911/4885HSD17B10 592/4885

“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.