SCHEMBL4518941

SCHEMBL4518941

CCCCCCCCOc1ccc(C(=O)c2ccc(C(=O)OC)cc2)cc1OCCCCCCCC

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 6/20 0.61
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
MGLL Q99685 2/20 0.51
CNR2 P34972 2/20 0.51
LTB4R Q15722 1/20 0.50
PDE4B Q07343 1/20 0.49
PLA2G4B P0C869 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL4534864 0.93 SMPD1 (0.60) SMPD1THRATHRBMGLLCNR2
SCHEMBL9565566 0.92 SMPD1 (0.67) SMPD1THRATHRBMGLLCNR2
SCHEMBL967401 0.92 SMPD1 (0.67) SMPD1THRATHRBMGLLCNR2
SCHEMBL9304902 0.92 SMPD1 (0.67) SMPD1THRATHRBMGLLCNR2
SCHEMBL24950547 0.92 SMPD1 (0.67) SMPD1THRATHRBMGLLCNR2
SCHEMBL7335792 0.90 SMPD1 (0.64) SMPD1THRATHRBMGLLCNR2
SCHEMBL4531499 0.88 SMPD1 (0.53) SMPD1THRATHRBMGLL
SCHEMBL9307263 0.86 SMPD1 (0.76) SMPD1THRATHRBMGLLCNR2
SCHEMBL9307505 0.86 SMPD1 (0.67) SMPD1THRATHRBMGLLPLA2G4B
SCHEMBL14930509 0.86 SMPD1 (0.67) SMPD1THRATHRBMGLLPLA2G4B

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 4453/4885THRA 4590/4885THRB 4784/4885

“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.