SCHEMBL21175587

SCHEMBL21175587

C=CC(F)c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 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
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
ACHE P22303 3/20 0.40
NFE2L2 Q16236 2/20 0.39
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
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL28915142 0.81 CA1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL28301975 0.80 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL22975371 0.79 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL21175614 0.78 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL8879882 0.77 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL13019683 0.76 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL10723307 0.76 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL5244460 0.76 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL21175615 0.76 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL21175616 0.76 CA1 (0.46) 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 6 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
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.