SCHEMBL6440105

SCHEMBL6440105

CSc1ccc(C(O)(c2ccc(CCC34OCC(C)(CO3)CO4)cc2)c2ccc(SC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
HTT P42858 1/20 0.31
SLC6A4 P31645 2/20 0.31
MMP12 P39900 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL6437151 0.82 SMN1; SMN2 (0.39) HTT
SCHEMBL13939397 0.81 HRH3 (0.33)
SCHEMBL6437529 0.80 GAA (0.31) EPHX2NR1H4
SCHEMBL6440113 0.75 ESR1 (0.34)
SCHEMBL13940077 0.73 SLC6A4 (0.45) EPHX2NR1H4HTTSLC6A4MMP12
SCHEMBL6436895 0.71 TAAR1 (0.39)
SCHEMBL6437743 0.68 FFAR1 (0.49) EPHX2NR1H4MMP12MMP13
SCHEMBL12128665 0.60 CYP11B1 (0.34)
SCHEMBL18722019 0.60
SCHEMBL4158263 0.60 CYP1A1 (0.56) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 US disclosed
US-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 US disclosed
EP-1506959-A2 Derivatised molecules for mass spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2005-02-16 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 (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-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry F3, TBCA, GYPA EPHX2 1027/4885NR1H4 4675/4885HTT 3776/4885

“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.