SCHEMBL4852815

SCHEMBL4852815

CCCCCC(C(=O)Nc1ccc(C(=O)OC)cc1)c1ccc2c(c1)OCCC2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.44
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
CYP26A1 O43174 3/20 0.41
CYP26B1 Q9NR63 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CASP1 P29466 1/20 0.39
RXRA P19793 1/20 0.37
HNF4A P41235 1/20 0.37
CYP3A4 P08684 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CASP3 P42574 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4843603 0.91 RXRA (0.44) RARARARBRARGCYP26A1CYP26B1
SCHEMBL4846989 0.81 CYP3A4 (0.46) RARARARBRARGCYP26A1CYP26B1
SCHEMBL4845461 0.80 RARB (0.49) RARARARBRARGCYP26A1CYP26B1
SCHEMBL4845457 0.80 RARB (0.49) RARARARBRARGCYP26A1CYP26B1
SCHEMBL4845468 0.80 RARB (0.49) RARARARBRARGCYP26A1CYP26B1
SCHEMBL4849371 0.80 RXRA (0.41) RARARARBRARGCYP26A1CYP26B1
SCHEMBL4844495 0.77 RXRA (0.48) RARARARBRARGCYP26A1CYP26B1
SCHEMBL4850568 0.75 RXRA (0.38) RARARARBRARGCYP26A1CYP26B1
SCHEMBL14196319 0.73 RARB (0.43) RARARARBRARGCYP26A1CYP26B1
SCHEMBL27527948 0.72 RXRA (0.43) RARARARBRARGCYP26A1CYP26B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 RARA 4/4885RARB 5/4885RARG 1/4885
US-20030158178-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA RARA 4/4885RARB 5/4885RARG 1/4885

“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.