SCHEMBL2012614

SCHEMBL2012614

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
HMGCR P04035 2/20 0.42
HPGD P15428 2/20 0.40
ESR1 P03372 1/20 0.40
ABCB1 P08183 1/20 0.39
NLRP3 Q96P20 3/20 0.38
LMNA P02545 2/20 0.38
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
NTSR1 P30989 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL2008475 0.88 CASP3 (0.44) CASP3CASP7CASP9HMGCRHPGD
SCHEMBL2010455 0.87 HMGCR (0.53) CASP3CASP7CASP9HMGCRHPGD
SCHEMBL2007664 0.86 CASP3 (0.46) CASP3CASP7CASP9HMGCRHPGD
SCHEMBL2014171 0.84 MAPT (0.44) CASP3CASP7CASP9HMGCRHPGD
SCHEMBL2012377 0.82 GAA (0.46) CASP3CASP7CASP9HMGCRHPGD
SCHEMBL2014022 0.81 ESR1 (0.42) CASP3CASP7CASP9HMGCRHPGD
SCHEMBL2006187 0.80 HMGCR (0.38) CASP3CASP7CASP9HMGCRHPGD
SCHEMBL19364052 0.75 ALDH1A1 (0.54) CASP3CASP7CASP9NLRP3LMNA
SCHEMBL2013048 0.74 HPGD (0.65) HPGDLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL2009779 0.74 HPGD (0.55) HPGDESR1LMNAPTPN1ALDH1A1

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 CASP3 4105/4885CASP7 4127/4885CASP9 3233/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 CASP3 4105/4885CASP7 4127/4885CASP9 3233/4885

“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.