SCHEMBL2014022

SCHEMBL2014022

CCOC(=O)COc1cc(O)c(C(=O)CBr)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
HMGCR P04035 2/20 0.42
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
HPGD P15428 1/20 0.40
ABCB1 P08183 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
F9 P00740 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NLRP3 Q96P20 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
PTPN1 P18031 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2009036 0.88 ESR1 (0.42) ESR1HMGCRCASP3CASP7CASP9
SCHEMBL2010455 0.87 HMGCR (0.53) ESR1HMGCRCASP3CASP7CASP9
SCHEMBL2014171 0.84 MAPT (0.44) ESR1HMGCRCASP3CASP7CASP9
SCHEMBL2012377 0.82 GAA (0.46) ESR1HMGCRCASP3CASP7CASP9
SCHEMBL2010297 0.81 HMGCR (0.39) ESR1HMGCRCASP3CASP7CASP9
SCHEMBL2012614 0.81 CASP3 (0.44) ESR1HMGCRCASP3CASP7CASP9
SCHEMBL2009779 0.74 HPGD (0.55) ESR1HPGDALDH1A1KDM4EGLA
SCHEMBL2013048 0.74 HPGD (0.65) HPGDALDH1A1KDM4EGLACYP1A2
SCHEMBL2010341 0.74 HMGCR (0.53) ESR1HMGCRCASP3CASP7CASP9
SCHEMBL6813799 0.74 ALDH1A1 (0.44) ESR1CASP3CASP7CASP9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964628-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-07 US disclosed
US-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 US disclosed
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 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-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE FGB, F13B, F2 ESR1 2308/4885HMGCR 3455/4885CASP3 4105/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ESR1 2308/4885HMGCR 3455/4885CASP3 4105/4885

“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.