SCHEMBL2896779

SCHEMBL2896779

CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(CO)cc3)ccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 9/20 0.77
CYP26B1 Q9NR63 8/20 0.77
RARA P10276 7/20 0.74
RARB P10826 7/20 0.74
RARG P13631 7/20 0.74
MEN1 O00255 2/20 0.74
CYP3A4 P08684 2/20 0.74
KMT2A Q03164 2/20 0.74
PGR P06401 1/20 0.74
ADORA3 P0DMS8 1/20 0.74
TBXA2R P21731 1/20 0.74
BLVRB P30043 1/20 0.74
ALDH1A1 P00352 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL9522350 0.87 CYP26A1 (1.00) CYP26A1CYP26B1RARARARBRARG
SCHEMBL13027011 0.85 CYP26A1 (0.78) CYP26A1CYP26B1RARARARBRARG
SCHEMBL22838084 0.85 CYP26A1 (0.78) CYP26A1CYP26B1RARARARBRARG
SCHEMBL13999715 0.85 CYP26A1 (0.80) CYP26A1CYP26B1RARARARBRARG
Tamibarotene SCHEMBL29373818 0.85 RARB (1.00) CYP26A1CYP26B1RARARARBRARG
SCHEMBL19560600 0.85 RARA (0.80) CYP26A1CYP26B1RARARARBRARG
Tamibarotene SCHEMBL36207 0.85 RARB (1.00) CYP26A1CYP26B1RARARARBRARG
SCHEMBL8461840 0.85 CYP26A1 (0.80) CYP26A1CYP26B1RARARARBRARG
SCHEMBL1615110 0.85 RARA (0.80) CYP26A1CYP26B1RARARARBRARG
SCHEMBL17858841 0.84 CYP26A1 (0.74) CYP26A1CYP26B1RARARARBRARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633335-B2 Retinoid prodrug compound Research Founation Itsuu Laboratory (JP) 2014-01-21 US disclosed
US-20100286427-A1 RETINOID PRODRUG COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2010-11-11 US disclosed
EP-2216322-A1 RETINOID PRODRUG COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-08-11 EP 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-20100286427-A1 RETINOID PRODRUG COMPOUND STRA6, RXRA, RXRB CYP26A1 54/4885CYP26B1 24/4885RARA 6/4885

“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.