SCHEMBL2007903

SCHEMBL2007903

CCOC(=O)COc1cc(O)c(C(C)=O)cc1CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.53
LTB4R Q15722 8/20 0.52
LTB4R2 Q9NPC1 7/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTR2B P41595 1/20 0.47
KMT2A Q03164 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 0.46
HTT P42858 1/20 0.45
ESR1 P03372 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
SCHEMBL2012618 0.90 HTT (0.53) PDE5ALTB4RHPGDALDH1A1CYP3A4
SCHEMBL28868247 0.87 ESR1 (0.51) PDE5AHPGDMEN1ALDH1A1CYP3A4
SCHEMBL2014171 0.85 MAPT (0.44) PDE5ALTB4RHPGDMEN1ALDH1A1
SCHEMBL2012142 0.85 MAPT (0.44) PDE5ALTB4RHPGDMEN1ALDH1A1
SCHEMBL2007639 0.84 GAA (0.49) PDE5AHPGDMEN1ALDH1A1TSHR
SCHEMBL8949624 0.84 LTB4R (0.80) PDE5ALTB4RLTB4R2
SCHEMBL2007664 0.82 CASP3 (0.46) PDE5AHPGDALDH1A1CYP3A4TSHR
SCHEMBL2011241 0.79 PDE5A (0.43) PDE5ALTB4RLTB4R2HPGDMEN1
SCHEMBL9417903 0.77 LTB4R (0.55) PDE5ALTB4RLTB4R2HPGDMEN1
SCHEMBL6802277 0.77 LTB4R (0.58) PDE5ALTB4RLTB4R2HPGDMEN1

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 PDE5A 3417/4885LTB4R 122/4885LTB4R2 168/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 PDE5A 3417/4885LTB4R 122/4885LTB4R2 168/4885

“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.