SCHEMBL6345181

SCHEMBL6345181

CC1(C)CCC(C)(C)c2cc(NC(=O)C(F)(F)F)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.58
RARG P13631 5/20 0.58
RARA P10276 5/20 0.58
CYP26A1 O43174 4/20 0.58
MEN1 O00255 2/20 0.58
CYP3A4 P08684 2/20 0.58
KMT2A Q03164 2/20 0.58
PGR P06401 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
TBXA2R P21731 1/20 0.58
BLVRB P30043 1/20 0.58
CYP26B1 Q9NR63 2/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL7922973 0.81 RARB (0.44) RARBRARGRARACYP26A1MEN1
SCHEMBL32685293 0.81 RARB (0.68) RARBRARGRARACYP26A1MEN1
SCHEMBL3935697 0.81 RARB (0.64) RARBRARGRARACYP26A1MEN1
SCHEMBL6937680 0.80 RARB (0.62) RARBRARGRARACYP26A1MEN1
SCHEMBL1615912 0.78 RARB (0.65) RARBRARGRARACYP26A1MEN1
SCHEMBL6447266 0.77 RARB (0.59) RARBRARGRARACYP26A1MEN1
SCHEMBL1614827 0.76 CYP26A1 (0.58) RARBRARGRARACYP26A1MEN1
SCHEMBL8461304 0.75 RARA (0.78) RARBRARGRARACYP26A1MEN1
SCHEMBL1615388 0.75 RARB (0.64) RARBRARGRARACYP26A1MEN1
SCHEMBL8461601 0.75 CYP26A1 (0.82) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844466-B2 Alkyl urea retinoid agonists SYNTEX (U.S.A.) LLC (US) 2005-01-18 US disclosed
EP-1430024-A1 ALKYL UREA RETINOID AGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2004-06-23 EP disclosed
US-20030158226-A1 Alkyl urea retinoid agonists ROCHE BIOSCIENCE, A DIVISION OF SYNTEX (U.S.A.) LLC 2003-08-21 US disclosed
WO-2003024921-A1 ALKYL UREA RETINOID AGONISTS I 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-20030158226-A1 Alkyl urea retinoid agonists RXRG, RXRA, RXRB RARB 6/4885RARG 4/4885RARA 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.