SCHEMBL3036253

SCHEMBL3036253

O=COC(C(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.52
GLS O94925 1/20 0.47
SRC P12931 2/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
PPARA Q07869 3/20 0.41
PPARG P37231 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39

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
SCHEMBL3036250 1.00 CYP2D6 (0.52) CYP2D6GLSSRCLMNAMAPK1
Benzene SCHEMBL28174562 1.00 CYP2D6 (0.52) CYP2D6GLSSRCLMNAMAPK1
SCHEMBL18220934 1.00 CYP2D6 (0.52) CYP2D6GLSSRCLMNAMAPK1
SCHEMBL9530923 0.86 GLS (0.46) CYP2D6GLSSRCLMNAMAPK1
SCHEMBL11693823 0.84 SRC (0.43) CYP2D6GLSSRCKMT2AALDH1A1
SCHEMBL3298111 0.84 GLS (0.45) CYP2D6GLSSRCLMNAMAPK1
SCHEMBL9530930 0.84 GLS (0.48) CYP2D6GLSSRCLMNAMAPK1
SCHEMBL400208 0.84 GLS (0.45) CYP2D6GLSSRCLMNAMAPK1
SCHEMBL9248607 0.82 ALDH1A1 (0.59) CYP2D6GLSLMNAMAPK1KMT2A
SCHEMBL19305342 0.82 CYP2C19 (0.47) CYP2D6SRCLMNAMAPK1KMT2A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168968-B1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS LLC (US) 2017-08-23 EP disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8367826-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2013-02-05 US disclosed
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2012-08-02 US disclosed
US-7820662-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2010-10-26 US disclosed
EP-2168968-A1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-12-31 US disclosed
EP-1740591-B1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2009-06-17 EP disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-4107431-A ANTIBIOTICS GLAXO LABORATORIES LIMITED (GB) 1978-08-15 US disclosed
US-4103086-A 8-Oxo-4-thia-1-azabicyclo (4.2.0)-oct-2-ene derivatives SMITHKLINE CORPORATION (US) 1978-07-25 US disclosed
US-4072674-A FOR CEPHALOSPORIN CONGENERS SMITHKLINE CORPORATION (US) 1978-02-07 US disclosed
US-4045437-A ANTIBACTERIAL PFIZER, INC. (US) 1977-08-30 US disclosed
US-4045436-A ANTIBACTERIAL PFIZER INC. (US) 1977-08-30 US disclosed
US-4039532-A BACTERICIDES PFIZER INC. (US) 1977-08-02 US disclosed
US-4039533-A CEPHALOSPORINS PFIZER INC. (US) 1977-08-02 US disclosed
US-4006138-A A CEPHALOSPORIN ANTIBIOTIC ELI LILLY AND COMPANY (US) 1977-02-01 US disclosed
US-3966719-A ANTIBACTERIAL PFIZER INC. (US) 1976-06-29 US disclosed
US-3953436-A 3,4-Dicarboxycephalosporins and derivatives ELI LILLY AND COMPANY (US) 1976-04-27 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 (3 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-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 CYP2D6 467/4885GLS 3661/4885SRC 299/4885
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 CYP2D6 467/4885GLS 3661/4885SRC 299/4885
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 CYP2D6 467/4885GLS 3661/4885SRC 299/4885

“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.