SCHEMBL21715549

SCHEMBL21715549

CC(C)(C)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
RXRB P28702 10/20 0.44
RXRA P19793 9/20 0.44
RXRG P48443 6/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
KIF11 P52732 1/20 0.39
CES2 O00748 1/20 0.39
IKBKB O14920 1/20 0.39
POLB P06746 1/20 0.36
IDO1 P14902 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
SCHEMBL1104677 0.89 GABRB2 (0.52) GABRA1GABRB2MAPTKDM4EGAA
SCHEMBL22861023 0.89 GABRB2 (0.52) GABRA1GABRB2MAPTKDM4EGAA
SCHEMBL15077166 0.87 GABRB2 (0.46) GABRA1GABRB2MAPTKDM4EGAA
SCHEMBL26230931 0.87 GABRA1 (0.55) GABRA1GABRB2RXRBRXRARXRG
SCHEMBL13866628 0.87 RXRA (0.52) RXRBRXRARXRGMAPTKIF11
SCHEMBL14075750 0.84 RXRA (0.53) RXRBRXRARXRGKIF11
SCHEMBL9482063 0.84 RXRA (0.54) RXRBRXRARXRGMAPTKIF11
SCHEMBL4572745 0.84 GABRA1 (0.58) GABRA1GABRB2RXRBRXRARXRG
SCHEMBL3439602 0.80 RAPGEF4 (0.48) GABRA1GABRB2RXRBRXRAMAPT
SCHEMBL1754077 0.80 GABRA1 (0.44) GABRA1GABRB2RXRBRXRARXRG

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-10836761-B2 Cinchonine-derived catalysts and methods of using same BRANDEIS UNIVERSITY (US) 2020-11-17 US disclosed
US-20200048243-A1 CINCHONINE-DERIVED CATALYSTS AND METHODS OF USING SAME BRANDEIS UNIVERSITY (US) 2020-02-13 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-10836761-B2 Cinchonine-derived catalysts and methods of using same MCM2, MCM7, MCM5 GABRA1 4625/4885GABRB2 4503/4885RXRB 4555/4885
US-20200048243-A1 CINCHONINE-DERIVED CATALYSTS AND METHODS OF USING SAME MCM2, MCM7, MCM5 GABRA1 4625/4885GABRB2 4503/4885RXRB 4555/4885

“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.