SCHEMBL17457110

SCHEMBL17457110

CCOC(=O)C=Cc1ccc(C(=O)c2ccc(OCCC[Si](OCC)(OCC)OCC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
ABCG2 Q9UNQ0 3/20 0.47
MAOB P27338 7/20 0.46
CYP3A4 P08684 1/20 0.44
PTGS2 P35354 1/20 0.44
FDPS P14324 1/20 0.44
TTR P02766 1/20 0.43
DPP4 P27487 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43

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
SCHEMBL17457111 1.00 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL17457048 0.96 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL17457047 0.96 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL17061361 0.94 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL17061359 0.94 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL17457039 0.91 MAOB (0.49) CA12CA1CA2CA7CA9
SCHEMBL17457040 0.91 MAOB (0.49) CA12CA1CA2CA7CA9
SCHEMBL17457112 0.91 ABCG2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL17457113 0.91 ABCG2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL17457051 0.90 CA12 (0.52) CA12CA1CA2CA7CA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9823401-B2 Cured film formation composition, orientation material, and retardation material NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-21 US disclosed
US-9529132-B2 Cured film formation composition, orientation material, and retardation material NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-20160291412-A1 CURED FILM FORMATION COMPOSITION, ORIENTATION MATERIAL, AND RETARDATION MATERIAL NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-06 US disclosed
US-20160025915-A1 CURED FILM FORMATION COMPOSITION, ORIENTATION MATERIAL, AND RETARDATION MATERIAL NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-01-28 US disclosed
CN-105051133-A Composition for forming cured film, alignment material, and phase difference material NISSAN CHEMICAL IND LTD 2015-11-11 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 (1 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-20160025915-A1 CURED FILM FORMATION COMPOSITION, ORIENTATION MATERIAL, AND RETARDATION MATERIAL CCNA1, RAD51, SMC1A CA12 2317/4885CA1 1245/4885CA2 2397/4885

“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.