SCHEMBL20033692

SCHEMBL20033692

CC(C)Cc1ccc(CC(C)(C)Cc2ccncc2)nc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
ALOX5AP P20292 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
FDPS P14324 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL18675305 0.84 ESR1 (0.38) BRS3CYP3A4CYP11B1CYP11B2FDPS
SCHEMBL21156480 0.82 CYP11B1 (0.36) BRS3CYP3A4CYP11B1CYP11B2FDPS
SCHEMBL21325065 0.80 ESR1 (0.34) CYP2C9MAPK1
SCHEMBL18858527 0.74 ESR1 (0.42) S1PR1CYP2C9MAPK1
SCHEMBL18469062 0.71 HRH3 (0.40) CYP1A2CYP2C9MAPK1
SCHEMBL21690207 0.71 ESR1 (0.33) CYP1A2CYP3A4CYP2C9CYP2C19TP53
SCHEMBL19891694 0.70 ESR1 (0.38) S1PR1CYP1A2
SCHEMBL104529 0.70 CYP3A4 (0.48) S1PR1S1PR3ALOX5APCYP1A2CYP3A4
SCHEMBL23512942 0.70 GABRA1 (0.39) CYP2C9MAPK1
SCHEMBL18389873 0.68 HRH3 (0.38) CYP1A2CYP2C9

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-20230054997-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS ALS THERAPY DEVELOPMENT INSTITUTE, 2023-02-23 US disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 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-20230054997-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SOD1, SMN1; SMN2, CLN6 BRS3 4577/4885S1PR1 4295/4885S1PR3 4419/4885

“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.