SCHEMBL4844495

SCHEMBL4844495

CCCCCC(C(=O)Oc1ccc(C(=O)O)cc1)c1ccc2c(c1)OCCC2(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.48
HNF4A P41235 3/20 0.48
CYP26A1 O43174 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP26B1 Q9NR63 2/20 0.43
RARA P10276 6/20 0.42
RARB P10826 6/20 0.42
RARG P13631 6/20 0.42
RXRB P28702 5/20 0.41
RXRG P48443 3/20 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
SCHEMBL6144637 0.93 RXRA (0.48) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6146627 0.93 RXRA (0.48) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL4850568 0.88 RXRA (0.38) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6143581 0.88 CYP26A1 (0.56) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6143658 0.84 CYP26A1 (0.48) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL4842332 0.84 CYP26A1 (0.55) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL4843603 0.84 RXRA (0.44) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL4849371 0.83 RXRA (0.41) RXRAHNF4ACYP26A1CYP26B1RARA
SCHEMBL14540351 0.82 RXRA (0.36) RXRAHNF4ARARARARBRARG
SCHEMBL14196320 0.82 RXRA (0.44) RXRAHNF4ACYP26A1CYP3A4CYP26B1

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 RXRA 3/4885HNF4A 536/4885CYP26A1 102/4885
US-20030158178-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA RXRA 3/4885HNF4A 536/4885CYP26A1 102/4885

“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.