SCHEMBL21175581

SCHEMBL21175581

C=CC(Br)(Br)c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ACHE P22303 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.37
ENPP2 Q13822 1/20 0.36
NFE2L2 Q16236 3/20 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
SCHEMBL3364583 0.80 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL21175590 0.78 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL21175613 0.78 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL3671684 0.74 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL5675558 0.74 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL6672567 0.74 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL5924666 0.72 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL19468259 0.72 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL8784464 0.72 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL9326106 0.72 CA1 (0.57) CA1CA2CA7CA9CA12

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 10 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
CN-112979917-B Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer 旭化成株式会社 2023-04-25 CN 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-109790269-B Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer 旭化成株式会社 2022-06-14 CN 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-107963982-B Polyisocyanate composition and isocyanate polymer composition 旭化成株式会社 2021-11-12 CN disclosed
CN-112979917-A Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer 旭化成株式会社 2021-06-18 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CA1 713/4885CA2 671/4885CA7 118/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B CA1 793/4885CA2 747/4885CA7 121/4885

“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.