SCHEMBL3940177

SCHEMBL3940177

CCCCCN(C(=O)Nc1ccc(C(=O)OC)cn1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.47
RXRB P28702 12/20 0.47
RXRG P48443 12/20 0.47
CYP3A4 P08684 3/20 0.45
CYP26A1 O43174 2/20 0.42
PPARG P37231 1/20 0.39
NR1H3 Q13133 1/20 0.39

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
SCHEMBL3933986 0.91 RXRA (0.56) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL3933465 0.83 CYP3A4 (0.47) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL6343446 0.83 CYP3A4 (0.44) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL6343404 0.80 SMN1; SMN2 (0.47) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL6335047 0.79 RXRA (0.56) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL6337770 0.79 SMN1; SMN2 (0.46) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL6343496 0.78 RXRA (0.55) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL6344748 0.78 RXRA (0.55) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL6347601 0.78 RXRA (0.55) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL6337777 0.77 SMN1; SMN2 (0.47) RXRARXRBRXRGCYP3A4CYP26A1

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-1430023-B1 SUBSTITUIED UREA RETINOID AGONISTS II HOFFMANN LA ROCHE (CH) 2009-04-08 EP disclosed
US-6838472-B2 For treating or preventing emphysema, cancer and dermatological disorders SYNTEX (U.S.A.) LLC (US) 2005-01-04 US disclosed
EP-1430023-A1 SUBSTITUIED UREA RETINOID AGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-06-23 EP disclosed
US-20030125383-A1 Substituted urea retinoid agonists ROCHE BIOSCIENCE, A DIVISION OF SYNTEX (U.S.A.) LLC 2003-07-03 US disclosed
WO-2003024920-A1 SUBSTITUTED UREA RETINOID AGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2003-03-27 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-20030125383-A1 Substituted urea retinoid agonists RXRA, RXRG, RARG RXRA 1/4885RXRB 4/4885RXRG 2/4885

“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.