SCHEMBL4514218

SCHEMBL4514218

COC(=O)c1cccc([C@@H](O)C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC7A5 Q01650 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
TSHR P16473 1/20 0.48
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CASR P41180 1/20 0.45
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL4514216 1.00 PTGS1 (0.51) PTGS1PTGS2SLC7A5LOXL2TSHR
SCHEMBL3682275 0.86 KMT2A (0.53) PTGS1PTGS2KMT2AMEN1
SCHEMBL4407205 0.84 TSHR (0.53) PTGS1PTGS2SLC7A5LOXL2TSHR
SCHEMBL4407209 0.84 TSHR (0.53) PTGS1PTGS2SLC7A5LOXL2TSHR
SCHEMBL2650423 0.84 TSHR (0.53) PTGS1PTGS2SLC7A5LOXL2TSHR
SCHEMBL9030430 0.83 PTGS1 (0.72) PTGS1PTGS2SLC7A5LOXL2TSHR
SCHEMBL246026 0.83 TSHR (0.52) PTGS1PTGS2SLC7A5LOXL2TSHR
SCHEMBL26453761 0.83 TSHR (0.52) PTGS1PTGS2SLC7A5LOXL2TSHR
SCHEMBL26453747 0.83 TSHR (0.52) PTGS1PTGS2SLC7A5LOXL2TSHR
SCHEMBL9454274 0.83 TSHR (0.52) PTGS1PTGS2SLC7A5LOXL2TSHR

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-20090221564-A1 Heterocyclic Compounds and Their Use in the Treatment of Cardiovascular Disease TRIGEN LIMITED (GB) 2009-09-03 US disclosed
EP-1991220-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASE TRIGEN LIMITED (GB) 2008-11-19 EP disclosed
WO-2007096362-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASE TRIGEN LIMITED (GB) 2007-08-30 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 (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-20090221564-A1 Heterocyclic Compounds and Their Use in the Treatment of Cardiovascular Disease F12, F5, F3 PTGS1 647/4885PTGS2 1206/4885SLC7A5 2782/4885

“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.