SCHEMBL6146449

SCHEMBL6146449

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.43
RXRB P28702 10/20 0.43
CYP26A1 O43174 6/20 0.39
CYP26B1 Q9NR63 4/20 0.39
RXRG P48443 8/20 0.36
RARB P10826 6/20 0.36
RARG P13631 6/20 0.36
RARA P10276 5/20 0.36
CYP3A4 P08684 2/20 0.35
CRABP2 P29373 1/20 0.35
MEN1 O00255 1/20 0.34
PGR P06401 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TBXA2R P21731 1/20 0.34
BLVRB P30043 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6147806 0.88 RXRA (0.42) RXRARXRBCYP26A1CYP26B1RXRG
SCHEMBL6147245 0.79 RXRA (0.50) RXRARXRBCYP26A1CYP26B1RXRG
SCHEMBL6146965 0.73 RXRA (0.48) RXRARXRBCYP26A1CYP26B1RXRG
SCHEMBL6146095 0.69 RXRA (0.54) RXRARXRBCYP26A1CYP26B1RXRG
SCHEMBL6570592 0.68 RXRA (0.64) RXRARXRBCYP26A1CYP26B1RXRG
SCHEMBL6147306 0.68 RXRA (0.46) RXRARXRBCYP26A1CYP26B1RXRG
SCHEMBL6147014 0.68 RXRA (0.46) RXRARXRBCYP26A1CYP26B1RXRG
SCHEMBL2223445 0.67 RARB (0.53) RXRARXRBCYP26A1CYP26B1RXRG
SCHEMBL6147714 0.67 RXRA (0.55) RXRARXRBCYP26A1CYP26B1RXRG
SCHEMBL6147914 0.67 RXRA (0.49) RXRARXRBCYP26A1CYP26B1RXRG

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 3 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
US-20020026060-A1 RAR selective retinoid agonists F.HOFFMANN-LA ROCHE AG (CH) 2002-02-28 US 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 6/4885CYP26A1 474/4885

“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.