SCHEMBL4850387

SCHEMBL4850387

CCCCCC(CO)c1ccc2c(c1)N(C)CCC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
RARB P10826 4/20 0.36
RARA P10276 3/20 0.36
RARG P13631 2/20 0.35
OPRM1 P35372 5/20 0.33
OPRD1 P41143 5/20 0.33
OPRK1 P41145 5/20 0.33
OPRL1 P41146 3/20 0.33
TBXAS1 P24557 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
RXRA P19793 1/20 0.30
HNF4A P41235 1/20 0.30
SIGMAR1 Q99720 2/20 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
SCHEMBL27551547 0.84 RARB (0.37) PTGS1PTGS2RARBRARARARG
SCHEMBL6147333 0.81 RARB (0.44) PTGS1PTGS2RARBRARARARG
SCHEMBL6147329 0.81 RARB (0.44) PTGS1PTGS2RARBRARARARG
SCHEMBL6143683 0.81 RXRA (0.43) RARBRARARARGRXRAHNF4A
SCHEMBL6143687 0.81 RXRA (0.43) RARBRARARARGRXRAHNF4A
SCHEMBL6147298 0.81 RXRA (0.43) RARBRARARARGRXRAHNF4A
SCHEMBL4848988 0.80 KDM1A (0.40) PTGS1PTGS2RARBRARGRXRA
SCHEMBL4844416 0.80 CYP26A1 (0.54) RARBRARARARGRXRAHNF4A
SCHEMBL14224180 0.79 RARB (0.49) PTGS1PTGS2RARBRARARARG
SCHEMBL4850997 0.78 CYP3A4 (0.47) RARBRARARARGRXRAHNF4A

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 PTGS1 1073/4885PTGS2 1333/4885RARB 5/4885
US-20030158178-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA PTGS1 1073/4885PTGS2 1333/4885RARB 5/4885

“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.