SCHEMBL4737199

SCHEMBL4737199

CCC(C)OC(=O)CC(=O)CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.45
KDM6B O15054 2/20 0.45
KDM5C P41229 2/20 0.45
PHF8 Q9UPP1 2/20 0.45
KDM2A Q9Y2K7 2/20 0.45
KDM4E B2RXH2 1/20 0.45
FAAH O00519 4/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
EPHX2 P34913 1/20 0.39
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL5928921 0.89 TSHR (0.46) FAAHCNR1CNR2EPHX2TSHR
SCHEMBL4029579 0.87 EGLN1 (0.39) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL27978988 0.85 FAAH (0.47) FAAHCNR1CNR2EPHX2TSHR
SCHEMBL155564 0.85 FAAH (0.44) FAAHCNR1CNR2EPHX2CA12
SCHEMBL4476244 0.84 FAAH (0.45) FAAHCNR1CNR2EPHX2TSHR
SCHEMBL644570 0.84 EGLN1 (0.43) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL28759969 0.82 EGLN1 (0.50) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL151702 0.82 FAAH (0.40) FAAHCNR1CNR2EPHX2TSHR
Butane SCHEMBL2861696 0.81 LMNA (0.41) EGLN1KDM6BKDM5CPHF8KDM2A
Ethane SCHEMBL15437842 0.80 FAAH (0.39) FAAHCNR1CNR2EPHX2TSHR

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-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate ASTRAZENECA AB (SE) 2008-08-21 US disclosed
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
US-5872207-A AMINOPROPYL SILICATE ON GLASS BEADS WITH PEPTIDES, CLEAVAGE WITH PROTEASE AND FLUORESECNCE SANOFI PHARMACEUTICALS, INC. (US) 1999-02-16 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-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate P2RY12, P2RY13, P2RY11 EGLN1 1618/4885KDM6B 1294/4885KDM5C 2227/4885

“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.