SCHEMBL3760754

SCHEMBL3760754

CCCCCCCCCCCCCCC(=O)NC(CO)(CO)CO

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.81
HSP90AA1 P07900 1/20 0.55
FAAH O00519 6/20 0.53
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
PPARG P37231 5/20 0.45
PPARD Q03181 5/20 0.45
PPARA Q07869 5/20 0.45
HDAC11 Q96DB2 4/20 0.45
TSHR P16473 3/20 0.45
GPR84 Q9NQS5 3/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
PTPN1 P18031 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45

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
SCHEMBL2907984 1.00 HRH3 (0.81) HRH3HSP90AA1FAAHALDH1A1MEN1
SCHEMBL1221877 1.00 HRH3 (0.81) HRH3HSP90AA1FAAHALDH1A1MEN1
SCHEMBL7737049 1.00 HRH3 (0.81) HRH3HSP90AA1FAAHALDH1A1MEN1
SCHEMBL16214678 1.00 HRH3 (0.81) HRH3HSP90AA1FAAHALDH1A1MEN1
SCHEMBL10445885 0.98 HRH3 (0.77) HRH3HSP90AA1FAAHALDH1A1MEN1
SCHEMBL8206597 0.92 HRH3 (0.71) HRH3HSP90AA1FAAHALDH1A1MEN1
SCHEMBL18059195 0.92 HRH3 (0.69) HRH3HSP90AA1FAAHALDH1A1MEN1
SCHEMBL8498722 0.91 HRH3 (0.69) HRH3HSP90AA1FAAHALDH1A1MEN1
SCHEMBL8499436 0.91 HRH3 (0.69) HRH3HSP90AA1FAAHALDH1A1MEN1
SCHEMBL7739091 0.90 HRH3 (1.00) HRH3FAAHALDH1A1MEN1KMT2A

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-20100305198-A1 CATIONIC LIPIDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURG (GB) 2010-12-02 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-20100305198-A1 CATIONIC LIPIDS CETP, LIPA, ABHD16A HRH3 1740/4885HSP90AA1 4072/4885FAAH 1067/4885

“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.