SCHEMBL4848993

SCHEMBL4848993

CCCCCC(COc1ccc(C(=O)O)cc1)c1ccc2c(c1)N(CC)CCC2(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 4/20 0.54
CYP3A4 P08684 3/20 0.54
CYP26B1 Q9NR63 3/20 0.54
RARB P10826 2/20 0.48
RARG P13631 2/20 0.48
RXRA P19793 8/20 0.45
HNF4A P41235 2/20 0.45
PLA2G4B P0C869 2/20 0.42
RARA P10276 1/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER2 P43116 1/20 0.40

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
SCHEMBL6147447 0.93 RARB (0.54) CYP26A1CYP3A4CYP26B1RARBRARG
SCHEMBL4844416 0.91 CYP26A1 (0.54) CYP26A1CYP3A4CYP26B1RARBRARG
SCHEMBL6144103 0.87 CYP26A1 (0.71) CYP26A1CYP3A4CYP26B1RARBRARG
SCHEMBL6146459 0.87 CYP26A1 (0.71) CYP26A1CYP3A4CYP26B1RARBRARG
SCHEMBL6144279 0.87 CYP26A1 (0.71) CYP26A1CYP3A4CYP26B1RARBRARG
SCHEMBL6144443 0.84 RARB (0.45) CYP26A1CYP3A4CYP26B1RARBRARG
SCHEMBL4850997 0.82 CYP3A4 (0.47) CYP26A1CYP3A4CYP26B1RARBRARG
SCHEMBL4842332 0.81 CYP26A1 (0.55) CYP26A1CYP3A4CYP26B1RARBRARG
SCHEMBL4847033 0.81 CYP26A1 (0.55) CYP26A1CYP3A4CYP26B1RARBRARG
SCHEMBL4845943 0.80 RARB (0.48) CYP26A1CYP3A4CYP26B1RARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1442032-B1 HETEROCYCLIC RETINOID COMPOUNDS HOFFMANN LA ROCHE (CH) 2007-04-18 EP claimed
EP-1442032-A1 HETEROCYCLIC RETINOID COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP claimed
WO-2003037882-A1 HETEROCYCLIC RETINOID COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-08 WO claimed
US-7354931-B2 Treating obstructive airway disorders using nontoxic drug ROCHE PALO ALTO LLC (US) 2008-04-08 US disclosed
US-7354931-B2 Treating obstructive airway disorders using nontoxic drug ROCHE PALO ALTO LLC (US) 2008-04-08 US disclosed
US-7354931-B2 Treating obstructive airway disorders using nontoxic drug ROCHE PALO ALTO LLC (US) 2008-04-08 US disclosed
EP-1442032-B1 HETEROCYCLIC RETINOID COMPOUNDS HOFFMANN LA ROCHE (CH) 2007-04-18 EP disclosed
EP-1442032-B1 HETEROCYCLIC RETINOID COMPOUNDS HOFFMANN LA ROCHE (CH) 2007-04-18 EP disclosed
US-20050049238-A1 Heterocyclic retinoid compounds KLAUS MICHAEL (DE) 2005-03-03 US disclosed
US-6818652-B2 THERAPEUTIC TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE, CANCER AND DERMATOLOGICAL SKIN DISORDERS SYNTEX (U.S.A.) LLC 2004-11-16 US disclosed
EP-1442032-A1 HETEROCYCLIC RETINOID COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
US-20030158178-A1 Heterocyclic retinoid compounds SYNTEX (U.S.A.) LLC 2003-08-21 US disclosed
WO-2003037882-A1 HETEROCYCLIC RETINOID COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-08 WO 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-20050049238-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA CYP26A1 102/4885CYP3A4 1244/4885CYP26B1 78/4885
US-20030158178-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA CYP26A1 102/4885CYP3A4 1244/4885CYP26B1 78/4885

“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.