SCHEMBL4259792

SCHEMBL4259792

CCCCOCCOc1cc(C(=O)O)nc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.53
DHODH Q02127 1/20 0.51
RARA P10276 1/20 0.50
MCL1 Q07820 5/20 0.49
P2RY12 Q9H244 10/20 0.49
PLA2G2A P14555 1/20 0.48
PDE10A Q9Y233 1/20 0.48

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
SCHEMBL4265091 0.90 P2RY12 (0.49) RARBDHODHRARAP2RY12PLA2G2A
SCHEMBL1111239 0.84 P2RY12 (0.52) MCL1P2RY12PDE10A
SCHEMBL5269568 0.83 PLA2G2A (0.48) RARBDHODHRARAP2RY12PLA2G2A
SCHEMBL4271936 0.82 NPC1 (0.55) MCL1P2RY12
SCHEMBL4264916 0.81 XDH (0.46) RARBDHODHRARAPLA2G2A
SCHEMBL2899930 0.80 MCL1 (0.52) MCL1PDE10A
SCHEMBL4260900 0.79 RARB (0.44) RARBDHODHRARAP2RY12PLA2G2A
SCHEMBL4262285 0.79 MCL1 (0.49) MCL1P2RY12
SCHEMBL14802124 0.76 LTA4H (0.53) DHODHPLA2G2A
SCHEMBL4265711 0.76 MCL1 (0.74) MCL1P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 RARB 517/4885DHODH 706/4885RARA 400/4885

“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.