SCHEMBL4533678

SCHEMBL4533678

CCCCCCCCOc1ccc(C(=O)c2ccc(C#N)cc2)cc1OCCCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
SMPD1 P17405 6/20 0.52
LTB4R Q15722 1/20 0.48
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
PLA2G4B P0C869 1/20 0.47
CNR2 P34972 1/20 0.46
PTPN11 Q06124 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 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
SCHEMBL9445183 0.85 ALDH1A1 (0.52) ALDH1A1HPGDSMPD1LTB4RTHRA
SCHEMBL10339986 0.84 NPC1 (0.55) ALDH1A1HPGDSMPD1PLA2G4BTP53
SCHEMBL13790358 0.84 LTB4R (0.61) ALDH1A1HPGDSMPD1LTB4RTHRA
SCHEMBL1579372 0.82 ALDH1A1 (0.54) ALDH1A1HPGDSMPD1TSHR
SCHEMBL9445384 0.82 ALDH1A1 (0.51) ALDH1A1HPGDSMPD1LTB4RTHRA
SCHEMBL4518941 0.82 SMPD1 (0.61) ALDH1A1HPGDSMPD1LTB4RTHRA
SCHEMBL4529930 0.80 LTB4R (0.63) ALDH1A1HPGDSMPD1LTB4RPLA2G4B
SCHEMBL6737583 0.80 ALDH1A1 (0.54) ALDH1A1HPGDSMPD1PLA2G4BTP53
SCHEMBL4524617 0.80 SMPD1 (0.52) ALDH1A1HPGDSMPD1LTB4RTHRA
SCHEMBL1200986 0.79 ALDH1A1 (0.69) ALDH1A1HPGDSMPD1PLA2G4BPTPN11

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-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 ALDH1A1 1019/4885HPGD 1452/4885SMPD1 4453/4885

“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.