SCHEMBL4843112

SCHEMBL4843112

CCCCCC(CO)c1ccc2c(c1)SCCC2(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
RARA P10276 5/20 0.31
RARB P10826 5/20 0.31
RARG P13631 5/20 0.31
RXRA P19793 2/20 0.31
HNF4A P41235 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 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
SCHEMBL6146600 0.91 RARA (0.38) PTGS1PTGS2RARARARBRARG
SCHEMBL6610666 0.84 PTGS1 (0.34) PTGS1PTGS2RARARARBRARG
SCHEMBL6143683 0.82 RXRA (0.43) RARARARBRARGRXRAHNF4A
SCHEMBL6143687 0.82 RXRA (0.43) RARARARBRARGRXRAHNF4A
SCHEMBL6147298 0.82 RXRA (0.43) RARARARBRARGRXRAHNF4A
SCHEMBL4847033 0.79 CYP26A1 (0.55) RARARARBRARGRXRAHNF4A
SCHEMBL4847707 0.78 CYP3A4 (0.46) RARARARBRARGRXRAHNF4A
SCHEMBL4850664 0.76 RARB (0.40) RARARARBRARGRXRAHNF4A
SCHEMBL4849010 0.76 MAP3K14 (0.36) PTGS1RARARARBRARGRXRA
SCHEMBL4850387 0.75 PTGS1 (0.36) PTGS1PTGS2RARARARBRARG

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 5 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
US-20030158178-A1 Heterocyclic retinoid compounds SYNTEX (U.S.A.) LLC 2003-08-21 US 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 1333/4885RARA 4/4885
US-20030158178-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA PTGS1 1073/4885PTGS2 1333/4885RARA 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.