SCHEMBL22080976

SCHEMBL22080976

CCCCOCCOc1nc(-c2ccc(C(=O)O)c(F)c2)[nH]c1C

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.66
RARA P10276 4/20 0.66
RARG P13631 3/20 0.66
MCL1 Q07820 1/20 0.41
MPL P40238 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHODH Q02127 2/20 0.38
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
BRS3 P32247 1/20 0.36

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
SCHEMBL29370734 0.80 RARB (1.00) RARBRARARARGMCL1PPARD
SCHEMBL4598579 0.80 RARB (1.00) RARBRARARARGMCL1PPARD
SCHEMBL4190534 0.78 RARB (1.00) RARBRARARARGMCL1KDM4E
SCHEMBL18624015 0.74 RARB (0.64) RARBRARARARGMCL1KDM4E
SCHEMBL4196940 0.73 RARB (0.58) RARBRARARARGMCL1KDM4E
SCHEMBL16609020 0.71 RARB (0.70) RARBRARARARGMCL1PPARD
SCHEMBL7610607 0.69 RARB (0.83) RARBRARARARGMCL1
SCHEMBL8642272 0.69 RARB (0.83) RARBRARARARGMCL1
SCHEMBL7825340 0.69 RARB (0.71) RARBRARARARGMCL1
SCHEMBL14702289 0.68 RARB (0.55) RARBRARARARGMCL1PPARD

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-20200179317-A1 COMBINATION THERAPY FOR HEAD AND NECK CANCER CORNELL UNIVERSITY (US) 2020-06-11 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-20200179317-A1 COMBINATION THERAPY FOR HEAD AND NECK CANCER RXRA, RXRB, RXRG RARB 6/4885RARA 4/4885RARG 5/4885

“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.