SCHEMBL6389331

SCHEMBL6389331

CCCCC(O)C#CCCCCCCCCCCCCC#N

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
HMGCR P04035 4/20 0.46
PTPN7 P35236 4/20 0.36
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DNM1 Q05193 1/20 0.32

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
SCHEMBL6389327 1.00 TSHR (0.48) TSHRHMGCRPTPN7RECQLTDP1
SCHEMBL9626686 0.86 HMGCR (0.58) HMGCRPTPN7
SCHEMBL12003762 0.86 HMGCR (0.45) TSHRHMGCRPTPN7DNM1
SCHEMBL6361700 0.85 HMGCR (0.46) TSHRHMGCRPTPN7
SCHEMBL6137599 0.85 HMGCR (0.46) TSHRHMGCRPTPN7
SCHEMBL6137606 0.85 HMGCR (0.46) TSHRHMGCRPTPN7
SCHEMBL6137410 0.83 HMGCR (0.45) HMGCRPTPN7RECQLTDP1DNM1
SCHEMBL6137458 0.83 HMGCR (0.45) HMGCRPTPN7RECQLTDP1DNM1
SCHEMBL6137452 0.83 HMGCR (0.45) HMGCRPTPN7RECQLTDP1DNM1
SCHEMBL6137271 0.83 HMGCR (0.45) HMGCRPTPN7RECQLTDP1DNM1

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-20050038259-A1 Hydroxyeicosenoic acid anaglogs TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-02-17 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-20050038259-A1 Hydroxyeicosenoic acid anaglogs HCAR1, HRH4, HCAR3 TSHR 907/4885HMGCR 226/4885PTPN7 2459/4885

“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.