SCHEMBL4845720

SCHEMBL4845720

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.35
HNF4A P41235 2/20 0.35
RARA P10276 4/20 0.34
RARB P10826 4/20 0.34
RARG P13631 4/20 0.34
MAP3K14 Q99558 1/20 0.33
ACACB O00763 1/20 0.33
UGCG Q16739 5/20 0.32
HTR1A P08908 1/20 0.32
PTGS1 P23219 1/20 0.32
OPRM1 P35372 1/20 0.32
CYP26A1 O43174 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL6144462 0.91 RARA (0.41) RXRAHNF4ARARARARBRARG
SCHEMBL6144456 0.91 RARA (0.41) RXRAHNF4ARARARARBRARG
SCHEMBL6144459 0.91 RARA (0.41) RXRAHNF4ARARARARBRARG
SCHEMBL6143648 0.83 RXRA (0.42) RXRAHNF4ARARARARBRARG
SCHEMBL6143651 0.83 RXRA (0.42) RXRAHNF4ARARARARBRARG
SCHEMBL6146847 0.82 RXRA (0.41) RXRAHNF4ARARARARBRARG
SCHEMBL6146841 0.82 RXRA (0.41) RXRAHNF4ARARARARBRARG
SCHEMBL4849371 0.81 RXRA (0.41) RXRAHNF4ARARARARBRARG
SCHEMBL4850323 0.80 RARB (0.50) RXRAHNF4ARARARARBRARG
SCHEMBL4850319 0.80 RARB (0.50) RXRAHNF4ARARARARBRARG

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 9 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
CN-1283635-C Heterocyclic retinoid compounds HOFFMANN LA ROCHE (CH) 2006-11-08 CN disclosed
US-20050049238-A1 Heterocyclic retinoid compounds KLAUS MICHAEL (DE) 2005-03-03 US disclosed
CN-1578776-A Heterocyclic retinoid compounds HOFFMANN LA ROCHE (CH) 2005-02-09 CN 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 536/4885RARA 4/4885
US-20030158178-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA RXRA 3/4885HNF4A 536/4885RARA 4/4885

“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.