SCHEMBL6147976

SCHEMBL6147976

CCCCC[C@H](C=O)c1ccc2c(c1)C(SC)(SC)CCO2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL6144456 0.85 RARA (0.41) UGCGHTR1APTGS1OPRM1
SCHEMBL6144462 0.85 RARA (0.41) UGCGHTR1APTGS1OPRM1
SCHEMBL6144459 0.85 RARA (0.41) UGCGHTR1APTGS1OPRM1
SCHEMBL6147589 0.83 TAS1R3 (0.34) OPRM1
SCHEMBL6144484 0.82 PTGS1 (0.36) UGCGHTR1APTGS1OPRM1
SCHEMBL6146605 0.81 MAP3K14 (0.30)
SCHEMBL6146589 0.81 RARA (0.41)
SCHEMBL6145974 0.79 RARB (0.43)
SCHEMBL4845720 0.79 RXRA (0.35) UGCGHTR1APTGS1OPRM1
SCHEMBL6147045 0.76 TAS1R3 (0.31)

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
EP-1280757-B1 NEW GAMMA SELECTIVE RETINOIDS HOFFMANN LA ROCHE (CH) 2005-08-17 EP disclosed
US-6603012-B2 RAR selective retinoid agonists HOFFMANN-LA ROCHE INC. 2003-08-05 US disclosed
EP-1280757-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-05 EP disclosed
US-20020026060-A1 RAR selective retinoid agonists F.HOFFMANN-LA ROCHE AG (CH) 2002-02-28 US disclosed
WO-2001083438-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 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 (1 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-20020026060-A1 RAR selective retinoid agonists RARA, RARG, RARB UGCG 1844/4885HTR1A 2585/4885PTGS1 558/4885

“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.