SCHEMBL6146889

SCHEMBL6146889

CCCCCC(COc1ccc(C(=O)OC)cc1)c1ccc2c(c1)C(SC)(SC)CCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
CYP3A4 P08684 4/20 0.36
CYP26A1 O43174 3/20 0.36
CYP26B1 Q9NR63 1/20 0.36
CHRNA7 P36544 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34

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
SCHEMBL4847717 0.93 CYP3A4 (0.38) RARARARBRARGCYP3A4CYP26A1
SCHEMBL6144565 0.92 CYP26A1 (0.46) RARARARBRARGCYP3A4CYP26A1
SCHEMBL6944154 0.91 RARB (0.39) RARARARBRARGCYP3A4CYP26A1
SCHEMBL4847037 0.85 CYP26A1 (0.46) RARBCYP3A4CYP26A1CYP26B1TSHR
SCHEMBL4846989 0.84 CYP3A4 (0.46) RARARARBRARGCYP3A4CYP26A1
SCHEMBL6942679 0.83 CYP26A1 (0.44) RARARARBRARGCYP3A4CYP26A1
SCHEMBL6145974 0.81 RARB (0.43) RARARARBRARGCYP3A4TSHR
SCHEMBL6148260 0.80 CYP3A4 (0.57) RARARARBRARGCYP3A4CYP26A1
SCHEMBL6148261 0.80 CYP3A4 (0.57) RARARARBRARGCYP3A4CYP26A1
SCHEMBL6146605 0.79 MAP3K14 (0.30)

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 RARA 1/4885RARB 3/4885RARG 2/4885

“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.