SCHEMBL8206597

SCHEMBL8206597

CCCCCCCCCCCCCCCC(=O)NC(CC)(CO)CO

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.71
HSP90AA1 P07900 1/20 0.52
FAAH O00519 6/20 0.50
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
TRPV1 Q8NER1 3/20 0.42
DNM1 Q05193 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL7737049 0.92 HRH3 (0.81) HRH3HSP90AA1FAAHALDH1A1MEN1
SCHEMBL3760754 0.92 HRH3 (0.81) HRH3HSP90AA1FAAHALDH1A1MEN1
SCHEMBL1221877 0.92 HRH3 (0.81) HRH3HSP90AA1FAAHALDH1A1MEN1
SCHEMBL16214678 0.92 HRH3 (0.81) HRH3HSP90AA1FAAHALDH1A1MEN1
SCHEMBL2907984 0.92 HRH3 (0.81) HRH3HSP90AA1FAAHALDH1A1MEN1
SCHEMBL10628119 0.91 HRH3 (0.88) HRH3FAAHALDH1A1MEN1KMT2A
SCHEMBL10628125 0.91 HRH3 (0.88) HRH3FAAHALDH1A1MEN1KMT2A
SCHEMBL10445885 0.90 HRH3 (0.77) HRH3HSP90AA1FAAHALDH1A1MEN1
SCHEMBL14036928 0.89 HRH3 (0.60) HRH3HSP90AA1FAAHALDH1A1MEN1
SCHEMBL8498722 0.87 HRH3 (0.69) HRH3HSP90AA1FAAHALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60123451-A None JP disclosed
US-12024533-B2 Antimicrobial organosilanes TOPIKOS SCIENTIFIC, INC. (US) 2024-07-02 US disclosed
US-20230143708-A1 ANTIMICROBIAL ORGANOSILANES TOPIKOS PHARMACEUTICALS, INC. (US) 2023-05-11 US disclosed
EP-0968998-A1 Cosmetic compositions, ceramide analogues with anti-elastase activity and process for their preparation ELF ATOCHEM S.A. (FR) 2000-01-05 EP disclosed
US-4762829-A ANTICOAGULANTS EISAI CO., LTD. (JP) 1988-08-09 US disclosed
US-4742058-A AMIDES, ANTICOAGULANTS EISAI CO., LTD. (JP) 1988-05-03 US disclosed
JP-S60123451-A POLYPRENYL BASED COMPOUND AND PRODUCTION THEREOF AND PHARMACEUTICAL CONTAINING THE SAME EISAI CO LTD 1985-07-02 JP disclosed
EP-0110397-A2 Polyprenyl compound and drug containing the same Eisai Co., Ltd. (JP) 1984-06-13 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 (2 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-12024533-B2 Antimicrobial organosilanes ARG1, ACMSD, AAAS HRH3 790/4885HSP90AA1 1012/4885FAAH 3503/4885
US-20230143708-A1 ANTIMICROBIAL ORGANOSILANES ARG1, ACMSD, AAAS HRH3 790/4885HSP90AA1 1012/4885FAAH 3503/4885

“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.