SCHEMBL6144485

SCHEMBL6144485

CCCCCC(C(=O)Oc1ccc(C(=O)OCc2ccccc2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
CYP26A1 O43174 1/20 0.43
CYP26B1 Q9NR63 1/20 0.43
RXRA P19793 5/20 0.41
RXRB P28702 3/20 0.41
RARA P10276 7/20 0.41
RARB P10826 7/20 0.41
RARG P13631 5/20 0.41
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HNF4A P41235 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4850568 0.90 RXRA (0.38) CYP3A4CYP26A1CYP26B1RXRARARA
SCHEMBL6146528 0.90 RARA (0.39) CYP3A4CYP26A1CYP26B1RXRARARA
SCHEMBL6146531 0.90 RARA (0.39) CYP3A4CYP26A1CYP26B1RXRARARA
SCHEMBL6145855 0.90 CYP3A4 (0.45) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL6147677 0.88 CYP3A4 (0.43) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL6148024 0.88 CYP3A4 (0.47) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL6143581 0.88 CYP26A1 (0.56) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL6143991 0.86 CYP3A4 (0.46) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL6147153 0.86 CYP3A4 (0.46) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL6145890 0.83 PPARG (0.43) CYP3A4CYP26A1CYP26B1RXRARXRB

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 CYP3A4 2129/4885CYP26A1 474/4885CYP26B1 923/4885

“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.