SCHEMBL25907910

SCHEMBL25907910

C#CCOc1ccc2c3c(ccc2c1)C1(C(=O)N(CCCCN2C(=O)C4(c5ccccc52)c2ccc5cc(OCC#C)ccc5c2Oc2c4ccc4cc(OCC#C)ccc24)c2ccccc21)c1ccc2cc(OCC#C)ccc2c1O3

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA4 P22748 3/20 0.40
CA9 Q16790 3/20 0.40
SCN9A Q15858 4/20 0.37
CA1 P00915 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
GSTP1 P09211 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL25907907 0.83 CA12 (0.40) CA12CA4CA9SCN9ACA1
SCHEMBL25909113 0.80 CNR1 (0.35) SCN9ALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL25907892 0.80 CNR1 (0.43) SCN9ALMNASMN1; SMN2
SCHEMBL25908917 0.79 SCN9A (0.44) SCN9ALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL25907901 0.78 CNR1 (0.46) CA12CA4CA9SCN9ACA1
SCHEMBL25907964 0.74 CA12 (0.33) CA12CA4CA9SCN9ACA1
SCHEMBL25907950 0.71 CA12 (0.31) CA12CA4CA9
SCHEMBL25119327 0.71 CNR1 (0.41) SCN9ALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL25119575 0.71 CNR1 (0.32) CA12CA4CA9SCN9AKDM4E
SCHEMBL25907915 0.70 CNR1 (0.40) SCN9ALMNASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230244147-A1 COMPOSITION FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND COMPOUND AND POLYMER FOR FORMING ORGANIC FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-03 US disclosed
US-20230244147-A1 COMPOSITION FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND COMPOUND AND POLYMER FOR FORMING ORGANIC FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-03 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 (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-20230244147-A1 COMPOSITION FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND COMPOUND AND POLYMER FOR FORMING ORGANIC FILM OR10J3, PYM1, AP1M1 CA12 2434/4885CA4 2058/4885CA9 2378/4885

“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.