SCHEMBL4849010

SCHEMBL4849010

CCCCCC(CO)c1ccc2c(c1)OCCC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.36
RXRA P19793 2/20 0.35
HNF4A P41235 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
ACACB O00763 1/20 0.33
RARA P10276 2/20 0.32
RARB P10826 2/20 0.32
RARG P13631 2/20 0.32
CYP26A1 O43174 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
UGCG Q16739 5/20 0.31
HTR1A P08908 1/20 0.31
PTGS1 P23219 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL6146125 0.91 RARA (0.39) MAP3K14RXRAHNF4ARARARARB
SCHEMBL6146120 0.91 RARA (0.39) MAP3K14RXRAHNF4ARARARARB
SCHEMBL6146117 0.91 RARA (0.39) MAP3K14RXRAHNF4ARARARARB
SCHEMBL4843119 0.85 MAP3K14 (0.34) MAP3K14
SCHEMBL6147298 0.82 RXRA (0.43) RXRAHNF4ARARARARBRARG
SCHEMBL6143687 0.82 RXRA (0.43) RXRAHNF4ARARARARBRARG
SCHEMBL6143683 0.82 RXRA (0.43) RXRAHNF4ARARARARBRARG
SCHEMBL4849371 0.81 RXRA (0.41) MAP3K14RXRAHNF4ATRPV1ACACB
SCHEMBL4845720 0.80 RXRA (0.35) MAP3K14RXRAHNF4ATRPV1ACACB
SCHEMBL4842332 0.79 CYP26A1 (0.55) 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 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 MAP3K14 4398/4885RXRA 3/4885HNF4A 536/4885
US-20030158178-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA MAP3K14 4398/4885RXRA 3/4885HNF4A 536/4885

“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.