SCHEMBL4196940

SCHEMBL4196940

CCCCOCCOc1nn(-c2ccc(C(=O)O)c(F)c2)nc1C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.58
RARA P10276 3/20 0.58
RARG P13631 2/20 0.58
MCL1 Q07820 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
PTPN11 Q06124 1/20 0.34

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
SCHEMBL22080976 0.73 RARB (0.66) RARBRARARARGMCL1KDM4E
SCHEMBL4598579 0.73 RARB (1.00) RARBRARARARGMCL1PPARD
SCHEMBL29370734 0.73 RARB (1.00) RARBRARARARGMCL1PPARD
SCHEMBL4190534 0.73 RARB (1.00) RARBRARARARGMCL1KDM4E
SCHEMBL18624015 0.70 RARB (0.64) RARBRARARARGMCL1KDM4E
SCHEMBL7825340 0.69 RARB (0.71) RARBRARARARGMCL1PTPN11
SCHEMBL9483099 0.68 RARB (0.68) RARBRARARARGMCL1KDM4E
SCHEMBL31227118 0.67 HPGD (0.40) RARBRARARARGALDH1A1PPARA
SCHEMBL16609020 0.67 RARB (0.70) RARBRARARARGMCL1PPARD
SCHEMBL5647136 0.66 RARA (0.66) RARBRARARARGMCL1

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-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS SONY CORPORATION (JP) 2009-07-09 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-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS RARB, RARA, RARG RARB 1/4885RARA 2/4885RARG 3/4885

“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.