SCHEMBL9007231

SCHEMBL9007231

CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.69
RARB P10826 6/20 0.69
RARG P13631 5/20 0.69
CYP26A1 O43174 4/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
CYP3A4 P08684 3/20 0.69
ALDH1A1 P00352 3/20 0.69
TSHR P16473 2/20 0.69
MAPK1 P28482 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
CYP26B1 Q9NR63 2/20 0.65
RAB9A P51151 5/20 0.59
MAPT P10636 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 3/20 0.59
GAA P10253 2/20 0.59

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
SCHEMBL22001408 0.93 RARA (0.69) RARARARBRARGCYP26A1MEN1
SCHEMBL28527041 0.91 ALDH1A1 (0.66) RARARARBRARGCYP26A1MEN1
SCHEMBL1615390 0.87 RARA (0.76) RARARARBRARGCYP26A1MEN1
SCHEMBL8458134 0.87 CYP26A1 (0.65) RARARARBRARGCYP26A1MEN1
SCHEMBL1615253 0.86 CYP26A1 (0.60) RARARARBRARGCYP26A1MEN1
SCHEMBL3819796 0.86 RARB (0.60) RARARARBRARGCYP26A1CYP3A4
SCHEMBL9144313 0.85 MAPT (0.54) RARARARBRARGCYP26A1MEN1
SCHEMBL6294133 0.85 RARA (0.51) RARARARBRARGCYP26A1MEN1
SCHEMBL8459704 0.84 RARA (0.80) RARARARBRARGCYP26A1MEN1
SCHEMBL6292847 0.84 MAPT (0.53) RARARARBRARGCYP26A1MEN1

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 5 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-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
US-20100286427-A1 RETINOID PRODRUG COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2010-11-11 US disclosed
US-5534261-A Retinoid-based compositions and method for preventing adhesion formation using the same UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1996-07-09 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-20100286427-A1 RETINOID PRODRUG COMPOUND STRA6, RXRA, RXRB RARA 6/4885RARB 5/4885RARG 7/4885

“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.