SCHEMBL4576210

SCHEMBL4576210

CCOC(=O)c1ccc(-c2ccc(OCCCCO)cc2)cc1-c1ccc(N2CCCC2)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.61
RARB P10826 6/20 0.61
RARG P13631 6/20 0.61
HRH3 Q9Y5N1 3/20 0.43
KCNH2 Q12809 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
ALDH1A1 P00352 1/20 0.36
CACNA1F O60840 2/20 0.36
BCHE P06276 2/20 0.36
CACNA1D Q01668 2/20 0.36
CACNA1S Q13698 2/20 0.36
CACNA1C Q13936 2/20 0.36
S1PR1 P21453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 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
SCHEMBL382093 0.85 RARG (0.79) RARARARBRARGHRH3KCNH2
SCHEMBL382857 0.78 RARG (0.80) RARARARBRARGTAAR1
SCHEMBL382160 0.77 RARG (0.81) RARARARBRARGHRH3KCNH2
SCHEMBL16737001 0.77 RARG (0.70) RARARARBRARGALDH1A1
SCHEMBL382692 0.76 RARG (1.00) RARARARBRARGTAAR1
SCHEMBL383525 0.76 RARG (0.62) RARARARBRARG
SCHEMBL382539 0.74 RARG (0.63) RARARARBRARGHRH3KCNH2
SCHEMBL381872 0.74 RARG (0.80) RARARARBRARGHRH3KCNH2
SCHEMBL382163 0.73 HRH3 (0.43) HRH3KCNH2HRH2HRH1ALDH1A1
SCHEMBL381962 0.73 RARA (0.44) RARARARBRARGS1PR1THRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015246-A1 Novel ligands that modulate RAR receptors and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-17 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-20080015246-A1 Novel ligands that modulate RAR receptors and pharmaceutical/cosmetic compositions comprised thereof RARB, RARA, RARG RARA 2/4885RARB 1/4885RARG 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.