SCHEMBL3934810

SCHEMBL3934810

COc1ccc(CN(C(=O)Nc2ccc(C(=O)O)cc2)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 6/20 0.53
RARB P10826 6/20 0.53
RARG P13631 6/20 0.53
CYP3A4 P08684 4/20 0.53
RARA P10276 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
RXRA P19793 8/20 0.51
RXRB P28702 8/20 0.51
RXRG P48443 8/20 0.51
PGR P06401 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
TBXA2R P21731 1/20 0.50
BLVRB P30043 1/20 0.50

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
SCHEMBL3934121 0.91 RARB (0.58) CYP26A1RARBRARGCYP3A4RARA
SCHEMBL3936415 0.89 MEN1 (0.54) CYP26A1RARBRARGCYP3A4RARA
SCHEMBL3934819 0.89 RARB (0.54) CYP26A1RARBRARGCYP3A4RARA
SCHEMBL3933071 0.83 RARB (0.58) CYP26A1RARBRARGCYP3A4RARA
SCHEMBL3931644 0.82 RARB (0.56) CYP26A1RARBRARGCYP3A4RARA
SCHEMBL3931570 0.81 RARB (0.56) CYP26A1RARBRARGCYP3A4RARA
SCHEMBL6335053 0.81 RARB (0.58) CYP26A1RARBRARGCYP3A4RARA
SCHEMBL3936079 0.81 LMNA (0.56) CYP26A1RARBRARGCYP3A4RARA
SCHEMBL8675649 0.80 RXRA (0.62) CYP26A1RARBRARGCYP3A4RARA
SCHEMBL6342047 0.80 RXRA (0.57) CYP26A1RARBRARGCYP3A4RARA

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 CYP26A1 801/4885RARB 6/4885RARG 3/4885

“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.