SCHEMBL6137410

SCHEMBL6137410

CCCC[C@@H](O)C#CCCCCCCCCCCCCBr

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.45
PTPN7 P35236 4/20 0.35
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DNM1 Q05193 1/20 0.31
ASAH1 Q13510 1/20 0.31

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
SCHEMBL6137452 1.00 HMGCR (0.45) HMGCRPTPN7RECQLTDP1DNM1
SCHEMBL6137271 1.00 HMGCR (0.45) HMGCRPTPN7RECQLTDP1DNM1
SCHEMBL6137596 1.00 HMGCR (0.45) HMGCRPTPN7RECQLTDP1DNM1
SCHEMBL6354511 1.00 HMGCR (0.45) HMGCRPTPN7RECQLTDP1DNM1
SCHEMBL6137418 1.00 HMGCR (0.45) HMGCRPTPN7RECQLTDP1DNM1
SCHEMBL6137283 1.00 HMGCR (0.45) HMGCRPTPN7RECQLTDP1DNM1
SCHEMBL6354507 1.00 HMGCR (0.45) HMGCRPTPN7RECQLTDP1DNM1
SCHEMBL6137458 1.00 HMGCR (0.45) HMGCRPTPN7RECQLTDP1DNM1
SCHEMBL6359768 0.98 HMGCR (0.44) HMGCRPTPN7RECQLTDP1
SCHEMBL6359767 0.98 HMGCR (0.44) HMGCRPTPN7RECQLTDP1

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
US-20050038259-A1 Hydroxyeicosenoic acid anaglogs TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-02-17 US disclosed
EP-1425258-A4 HYDROXYEICOSENOIC ACID ANALOGS TAISHO PHARMACEUTICAL CO LTD (JP) 2005-02-16 EP disclosed
EP-1436252-A4 HYDROXYFATTYSULFONIC ACID ANALOGS TAISHO PHARMACEUTICAL CO LTD (JP) 2005-02-09 EP disclosed
US-20050020680-A1 Hydroxyfattysulfonic acid analogs BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2005-01-27 US disclosed
EP-1436252-A1 HYDROXYFATTYSULFONIC ACID ANALOGS TAISHO PHARMACEUTICAL CO., LTD (JP) 2004-07-14 EP disclosed
EP-1425258-A2 HYDROXYEICOSENOIC ACID ANALOGS TAISHO PHARMACEUTICAL CO., LTD (JP) 2004-06-09 EP disclosed
WO-2003024922-A1 HYDROXYFATTYSULFONIC ACID ANALOGS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 WO disclosed
WO-2003024390-A2 HYDROXYEICOSENOIC ACID ANALOGS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 WO 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-20050020680-A1 Hydroxyfattysulfonic acid analogs ELANE, HRH2, APEH HMGCR 725/4885PTPN7 3905/4885RECQL 778/4885
US-20050038259-A1 Hydroxyeicosenoic acid anaglogs HCAR1, HRH4, HCAR3 HMGCR 226/4885PTPN7 2459/4885RECQL 3377/4885

“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.