SCHEMBL25908917

SCHEMBL25908917

COc1ccc2c3c(ccc2c1)C1(C(=O)N(CCCCN2C(=O)C4(c5ccccc52)c2ccc5cc(O)ccc5c2Oc2c4ccc4cc(O)ccc24)c2ccccc21)c1ccc2ccccc2c1O3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.44
CBX7 O95931 2/20 0.39
CDYL Q9Y232 2/20 0.39
CDY1; CDY1B Q9Y6F8 2/20 0.39
CDYL2 Q8N8U2 1/20 0.39
CNR1 P21554 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
HDAC2 Q92769 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL25909113 0.91 CNR1 (0.35) SCN9ACBX7CDYLCDY1; CDY1BCNR1
SCHEMBL25907892 0.89 CNR1 (0.43) SCN9ACNR1GPR55SMN1; SMN2LMNA
SCHEMBL25908909 0.82 CNR1 (0.50) SCN9ACBX7CDYLCDY1; CDY1BCDYL2
SCHEMBL25907910 0.79 CA12 (0.40) SCN9AALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL25907887 0.73 CNR1 (0.57) SCN9ACNR1GPR55SMN1; SMN2LMNA
SCHEMBL10145564 0.67 CYP3A4 (0.48) GPR55ALDH1A1MEN1KMT2AMAPT
SCHEMBL16204126 0.66 CHRM2 (0.39) MEN1KMT2AMAPTHPGDHTT
SCHEMBL25119022 0.65 CNR1 (0.74) SCN9ACNR1GPR55MEN1KMT2A
SCHEMBL16204123 0.65 PDK2 (0.41) GPR55MEN1KMT2AMAPTHPGD
SCHEMBL16204125 0.64 HPGD (0.39) ALDH1A1MEN1KMT2AMAPTHPGD

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 1 patent. 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

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 SCN9A 476/4885CBX7 2174/4885CDYL 1015/4885

“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.