SCHEMBL21755911

SCHEMBL21755911

COc1cccc(C(O)CC#N)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
PBRM1 Q86U86 1/20 0.48
GRIN2B Q13224 2/20 0.45
PPARG P37231 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CASR P41180 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL11437419 0.84 AOC3 (0.56) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL15195453 0.84 AOC3 (0.59) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL2204954 0.84 AOC3 (0.43) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL11080756 0.83 PBRM1 (0.50) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL2209006 0.83 AOC3 (0.42) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL171610 0.82 PBRM1 (0.49) AOC3L3MBTL1PBRM1CASR
SCHEMBL16084811 0.81 ALOX5 (0.46) PPARGTSHRMAPK1
SCHEMBL7856698 0.81 PBRM1 (0.55) AOC3L3MBTL1PBRM1CASR
SCHEMBL9236006 0.81 AOC3 (0.50) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL18602502 0.81 AOC3 (0.48) AOC3L3MBTL1PBRM1CASR

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-11253489-B2 Visual cycle modulators CASE WESTERN RESERVE UNIVERSITY (US) 2022-02-22 US disclosed
US-20200060996-A1 VISUAL CYCLE MODULATORS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERAN AFFAIRS 2020-02-27 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-20200060996-A1 VISUAL CYCLE MODULATORS ALDH1A2, UACA, NR2E3 AOC3 4210/4885L3MBTL1 4629/4885CHRM2 691/4885
US-11253489-B2 Visual cycle modulators ALDH1A2, UACA, NR2E3 AOC3 4210/4885L3MBTL1 4629/4885CHRM2 691/4885

“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.