SCHEMBL4843938

SCHEMBL4843938

CCCCCC(C=Cc1ccc(C(=O)O)cc1)c1ccc2c(c1)OCCC2(SC)SC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.41
RARB P10826 7/20 0.41
RARG P13631 7/20 0.41
RXRA P19793 4/20 0.35
HNF4A P41235 2/20 0.35
STAT3 P40763 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TRPV1 Q8NER1 1/20 0.32
PTGER4 P35408 3/20 0.31
PTGER2 P43116 2/20 0.31
RXRB P28702 1/20 0.31
PTGER3 P43115 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
SCHEMBL6146589 0.93 RARA (0.41) RARARARBRARGRXRAHNF4A
SCHEMBL4850328 0.89 RARB (0.50) RARARARBRARGRXRAHNF4A
SCHEMBL4850323 0.89 RARB (0.50) RARARARBRARGRXRAHNF4A
SCHEMBL4850319 0.89 RARB (0.50) RARARARBRARGRXRAHNF4A
SCHEMBL6145974 0.84 RARB (0.43) RARARARBRARGTRPV1
SCHEMBL6146448 0.83 RARA (0.54) RARARARBRARGRXRAHNF4A
SCHEMBL6147473 0.83 RARA (0.54) RARARARBRARGRXRAHNF4A
SCHEMBL6147479 0.83 RARA (0.54) RARARARBRARGRXRAHNF4A
SCHEMBL6146451 0.83 RARA (0.54) RARARARBRARGRXRAHNF4A
SCHEMBL6148235 0.80 RARA (0.43) RARARARBRARGSTAT3NPC1

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 10 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
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 RARA 4/4885RARB 5/4885RARG 1/4885
US-20030158178-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA RARA 4/4885RARB 5/4885RARG 1/4885

“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.