SCHEMBL3935697

SCHEMBL3935697

CC(=O)Nc1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.64
RARG P13631 6/20 0.64
RARA P10276 5/20 0.64
CYP26A1 O43174 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
CYP3A4 P08684 2/20 0.64
PGR P06401 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
TBXA2R P21731 1/20 0.64
BLVRB P30043 1/20 0.64
CYP26B1 Q9NR63 2/20 0.57
CYP1A2 P05177 3/20 0.56
CYP2C19 P33261 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
RXRA P19793 4/20 0.49
RXRB P28702 4/20 0.49

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
SCHEMBL32685293 0.86 RARB (0.68) RARBRARGRARACYP26A1MEN1
SCHEMBL6937680 0.85 RARB (0.62) RARBRARGRARACYP26A1MEN1
SCHEMBL30794905 0.84 CYP26A1 (0.53) RARBRARGRARACYP26A1MEN1
SCHEMBL6004955 0.84 CYP26A1 (0.53) RARBRARGRARACYP26A1MEN1
SCHEMBL1615912 0.83 RARB (0.65) RARBRARGRARACYP26A1MEN1
SCHEMBL6447266 0.82 RARB (0.59) RARBRARGRARACYP26A1MEN1
SCHEMBL27914184 0.82 CYP1A2 (0.50) RARBRARGRARACYP26A1MEN1
SCHEMBL13999715 0.82 CYP26A1 (0.80) RARBRARGRARACYP26A1MEN1
SCHEMBL6345181 0.81 RARB (0.58) RARBRARGRARACYP26A1MEN1
SCHEMBL1614827 0.81 CYP26A1 (0.58) 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 9 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
JP-2000034262-A NOVEL PRODUCTION METHOD OF BENZOIC ACID DERIVATIVE SHUDO KOICHI 2000-02-02 JP disclosed
EP-0478787-B1 NOVEL PROCESS FOR PRODUCING BENZOIC ACID DERIVATIVE SHIONOGI & CO (JP) 1994-12-21 EP disclosed
US-5214202-A Retinoid activity SHIONOGI & CO., LTD. (JP) 1993-05-25 US disclosed
EP-0478787-A1 NOVEL PROCESS FOR PRODUCING BENZOIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1992-04-08 EP 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 RARB 6/4885RARG 3/4885RARA 5/4885

“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.