SCHEMBL4531499

SCHEMBL4531499

CCCCCCCCOc1cc(C(=O)c2ccc(C(=O)OC)cc2)cc(OCCCCCCCC)c1OCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 6/20 0.53
MGLL Q99685 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL14085627 0.89 SMPD1 (0.53) SMPD1
SCHEMBL31111470 0.89 SMPD1 (0.53) SMPD1
SCHEMBL3797840 0.89 SMPD1 (0.53) SMPD1
SCHEMBL2018917 0.89 SMPD1 (0.53) SMPD1
SCHEMBL15726531 0.89 SMPD1 (0.53) SMPD1
SCHEMBL15731929 0.89 SMPD1 (0.53) SMPD1
SCHEMBL31481564 0.89 SMPD1 (0.53) SMPD1
SCHEMBL4518941 0.88 SMPD1 (0.61) SMPD1MGLLTHRATHRB
SCHEMBL28591699 0.87 SMPD1 (0.51) SMPD1
SCHEMBL970532 0.87 SMPD1 (0.54) SMPD1

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-20090176995-A1 Soluble fullerene derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2009-07-09 US disclosed
US-20090176995-A1 Soluble fullerene derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2009-07-09 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-20090176995-A1 Soluble fullerene derivatives SOD1, EPCAM, NDUFV2 SMPD1 4453/4885MGLL 3264/4885THRA 4590/4885

“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.