SCHEMBL3936079

SCHEMBL3936079

CC1(C)CCC(C)(C)c2cc(N(Cc3cccs3)C(=O)Nc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.53
THRB P10828 1/20 0.53
RARB P10826 6/20 0.53
RARG P13631 5/20 0.53
RARA P10276 4/20 0.53
CYP26A1 O43174 3/20 0.53
MEN1 O00255 2/20 0.53
CYP3A4 P08684 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 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 6/20 0.51
PGR P06401 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 0.87 RARB (0.58) RARBRARGRARACYP26A1MEN1
SCHEMBL3934819 0.82 RARB (0.54) RARBRARGRARACYP26A1MEN1
SCHEMBL3936415 0.82 MEN1 (0.54) LMNARARBRARGRARACYP26A1
SCHEMBL3931570 0.81 RARB (0.56) RARBRARGRARACYP26A1MEN1
SCHEMBL3932167 0.81 CYP26A1 (0.51) RARBRARGRARACYP26A1MEN1
SCHEMBL6335053 0.81 RARB (0.58) RARBRARGRARACYP26A1MEN1
SCHEMBL3934810 0.81 CYP26A1 (0.53) LMNARARBRARGRARACYP26A1
SCHEMBL6342047 0.80 RXRA (0.57) RARBRARGRARACYP26A1MEN1
SCHEMBL6335047 0.79 RXRA (0.56) RARBRARGRARACYP26A1MEN1
SCHEMBL3938335 0.79 RARB (0.56) RARBRARGRARACYP26A1MEN1

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 LMNA 1343/4885MAPT 1872/4885THRB 1094/4885

“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.