SCHEMBL6147245

SCHEMBL6147245

CC(C)(C#N)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.50
RXRB P28702 10/20 0.50
RARB P10826 10/20 0.39
RARG P13631 9/20 0.39
RARA P10276 7/20 0.39
RXRG P48443 6/20 0.39
CYP26A1 O43174 3/20 0.38
CYP3A4 P08684 2/20 0.38
CRABP2 P29373 1/20 0.38
MEN1 O00255 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
TBXA2R P21731 1/20 0.36
BLVRB P30043 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP26B1 Q9NR63 1/20 0.35

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
SCHEMBL6146449 0.79 RXRA (0.43) RXRARXRBRARBRARGRARA
SCHEMBL6147806 0.76 RXRA (0.42) RXRARXRBRARBRARGRARA
SCHEMBL6570592 0.75 RXRA (0.64) RXRARXRBRARBRARGRARA
SCHEMBL6147714 0.74 RXRA (0.55) RXRARXRBRARBRARGRARA
SCHEMBL8730978 0.73 RXRA (0.51) RXRARXRBRARBRARGRARA
SCHEMBL7714822 0.73 RXRA (0.51) RXRARXRBRARBRARGRARA
SCHEMBL6146095 0.72 RXRA (0.54) RXRARXRBRARBRARGRARA
SCHEMBL2654848 0.71 RXRA (0.64) RXRARXRBRARBRARGRARA
SCHEMBL6147894 0.71 RXRA (0.64) RXRARXRBRARBRARGRARA
SCHEMBL2223445 0.71 RARB (0.53) RXRARXRBRARBRARGRARA

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-1280757-B1 NEW GAMMA SELECTIVE RETINOIDS HOFFMANN LA ROCHE (CH) 2005-08-17 EP disclosed
US-6603012-B2 RAR selective retinoid agonists HOFFMANN-LA ROCHE INC. 2003-08-05 US disclosed
EP-1280757-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-05 EP disclosed
US-20020026060-A1 RAR selective retinoid agonists F.HOFFMANN-LA ROCHE AG (CH) 2002-02-28 US disclosed
WO-2001083438-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 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-20020026060-A1 RAR selective retinoid agonists RARA, RARG, RARB RXRA 4/4885RXRB 6/4885RARB 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.