SCHEMBL9252340

SCHEMBL9252340

BrC(Br)Cc1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2C9 P11712 2/20 0.52
CTNNB1 P35222 1/20 0.51
CYP2D6 P10635 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
ACP3 P15309 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
SLC6A4 P31645 1/20 0.44
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
CA2 P00918 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN1 P18031 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
SCHEMBL6684873 0.86 CTNNB1 (0.47) CYP1A2CYP2C19CYP2C9CTNNB1CYP2D6
SCHEMBL7394253 0.85 CTNNB1 (0.54) CYP1A2CYP2C19CYP2C9CTNNB1CYP2D6
SCHEMBL18243140 0.85 CTNNB1 (0.54) CYP1A2CYP2C19CYP2C9CTNNB1CYP2D6
SCHEMBL11674881 0.83 CYP1A2 (0.50) CYP1A2CYP2C19CYP2C9CTNNB1CYP2D6
SCHEMBL6680543 0.83 CTNNB1 (0.45) CYP1A2CYP2C19CYP2C9CTNNB1CYP2D6
SCHEMBL6680567 0.80 CTNNB1 (0.43) CYP1A2CYP2C19CYP2C9CTNNB1CYP2D6
SCHEMBL6307855 0.79 CTNNB1 (0.53) CYP1A2CYP2C19CYP2C9CTNNB1CYP2D6
SCHEMBL18244136 0.79 CTNNB1 (0.53) CYP1A2CYP2C19CYP2C9CTNNB1CYP2D6
SCHEMBL8377380 0.79 TDP1 (0.53) CYP1A2CYP2C19CYP2C9CTNNB1CYP2D6
SCHEMBL15750884 0.79 CTNNB1 (0.57) CYP1A2CYP2C19CYP2C9CTNNB1CYP2D6

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 35 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
CN-106008269-A POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION 旭化成株式会社 2016-10-12 CN disclosed
CN-105924370-A Polyisocyanate Composition And Isocyanate Polymer Composition 旭化成株式会社 2016-09-07 CN 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
CN-1046528-A As the new naphthalane base-3H-1 of antihyperglycemic agents, 2,3,5-oxygen thia diazole 2-oxide compound AMERICAN HOME PROD (US) 1990-10-31 CN 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 CYP1A2 195/4885CYP2C19 638/4885CYP2C9 111/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B CYP1A2 183/4885CYP2C19 639/4885CYP2C9 113/4885
US-20150210631-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY CYP1A2 520/4885CYP2C19 1318/4885CYP2C9 374/4885

“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.