SCHEMBL6889517

SCHEMBL6889517

CCOC(=O)c1ccc(C2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)CC2)nc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 15/20 0.73
▸ RARA P10276 8/20 0.73
▸ RARB P10826 8/20 0.73
▸ RXRG P48443 8/20 0.73
▸ RXRB P28702 7/20 0.73
▸ RARG P13631 5/20 0.73
▸ PPARG P37231 1/20 0.73
▸ CYP3A4 P08684 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HNF4A P41235 1/20 0.41

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
SCHEMBL1073361 0.89 RXRA (0.77) RXRARARARARBRXRGRXRB
SCHEMBL29434832 0.85 RXRA (1.00) RXRARARARARBRXRGRXRB
SCHEMBL29357483 0.85 RXRA (1.00) RXRARARARARBRXRGRXRB
SCHEMBL13752425 0.85 RXRA (0.82) RXRARARARARBRXRGRXRB
SCHEMBL301213 0.85 RXRA (1.00) RXRARARARARBRXRGRXRB
SCHEMBL21549712 0.80 RXRA (0.74) RXRARARARARBRXRGRXRB
SCHEMBL7023688 0.78 RXRA (0.71) RXRARARARARBRXRGRXRB
SCHEMBL20411358 0.78 RXRA (0.61) RXRARARARARBRXRGRXRB
SCHEMBL6033264 0.77 RARA (0.48) RXRARARARARBRXRGRXRB
SCHEMBL1073669 0.77 RXRA (0.74) RXRARARARARBRXRGRXRB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS UNIV CASE WESTERN RESERVE (US) 2014-08-21 — — US disclosed
WO-2013056232-A2 RXR AGONISTS COMPOUNDS AND METHODS CASE WESTERN RESERVE UNIVERSITY (US) 2013-04-18 — — WO disclosed
US-20120115912-A1 RXR AGONIST COMPOUNDS AND METHODS LANDRETH GARY E (US) 2012-05-10 — — US disclosed
WO-2011006157-A2 RXR AGONIST COMPOUNDS AND METHODS CASE WESTERN RESERVE UNIVERSITY (US) 2011-01-13 — — WO disclosed
US-7655699-B1 Compounds having selective activity for retinoid X receptors, and means for modulation of processes mediated by retinoid X receptors EISAI INC. (US) 2010-02-02 — — US disclosed
WO-1994015901-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1994-07-21 — — 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-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG RXRA 1/4885RARA 7/4885RARB 6/4885
US-20120115912-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG RXRA 1/4885RARA 18/4885RARB 21/4885

“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.

Send feedback