SCHEMBL4842332

SCHEMBL4842332

CCCCCC(COc1ccc(C(=O)O)cc1)c1ccc2c(c1)OCCC2(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 4/20 0.55
CYP3A4 P08684 3/20 0.55
CYP26B1 Q9NR63 3/20 0.55
RXRA P19793 8/20 0.51
HNF4A P41235 3/20 0.51
PLA2G4B P0C869 2/20 0.43
RARA P10276 3/20 0.42
RARB P10826 3/20 0.42
RARG P13631 3/20 0.42
RXRB P28702 3/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
RXRG P48443 2/20 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
SCHEMBL4846989 0.91 CYP3A4 (0.46) CYP26A1CYP3A4CYP26B1RXRAHNF4A
SCHEMBL4847037 0.89 CYP26A1 (0.46) CYP26A1CYP3A4CYP26B1RXRAHNF4A
SCHEMBL6144103 0.88 CYP26A1 (0.71) CYP26A1CYP3A4CYP26B1RXRAHNF4A
SCHEMBL6144279 0.88 CYP26A1 (0.71) CYP26A1CYP3A4CYP26B1RXRAHNF4A
SCHEMBL6146459 0.88 CYP26A1 (0.71) CYP26A1CYP3A4CYP26B1RXRAHNF4A
SCHEMBL4844495 0.84 RXRA (0.48) CYP26A1CYP3A4CYP26B1RXRAHNF4A
SCHEMBL6144565 0.83 CYP26A1 (0.46) CYP26A1CYP3A4CYP26B1RXRAHNF4A
SCHEMBL27527948 0.82 RXRA (0.43) CYP26A1CYP3A4CYP26B1RXRAHNF4A
SCHEMBL4847033 0.82 CYP26A1 (0.55) CYP26A1CYP3A4CYP26B1RXRAHNF4A
SCHEMBL6942679 0.81 CYP26A1 (0.44) CYP26A1CYP3A4CYP26B1RXRAHNF4A

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.