SCHEMBL2276592

SCHEMBL2276592

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccc(C=O)c3O)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.44
KIF11 P52732 1/20 0.44
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ERN1 O75460 4/20 0.39
GSK3B P49841 2/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
MDH2 P40926 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.37
CSNK2A1 P68400 1/20 0.37
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36
NPY5R Q15761 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
SCHEMBL3247853 0.92 PARP1 (0.49) PARP1KIF11HCRTR1HCRTR2GSK3B
SCHEMBL2272736 0.90 PARP1 (0.43) PARP1KIF11HCRTR1HCRTR2GSK3B
SCHEMBL3793445 0.88 PARP1 (0.47) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL2274667 0.87 PARP1 (0.46) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL3088394 0.85 PARP1 (0.48) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL393420 0.84 PARP1 (0.52) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL2279243 0.84 PARP1 (0.41) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL2277016 0.84 PARP1 (0.43) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL3247052 0.83 PARP1 (0.42) PARP1KIF11GSK3BALDH1A1SMN1; SMN2
SCHEMBL3939786 0.83 PARP1 (0.50) PARP1KIF11GSK3BCCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US disclosed
EP-1764118-B1 Polymer coating for medical devices GILEAD PALO ALTO INC (US) 2010-08-25 EP disclosed
WO-2010082050-A1 MACROCYCLIC AND 7-AMINOALKYL-SUBSTITUTED BENZOXAZOCINES FOR TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-07-22 WO disclosed
EP-2178886-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-04-28 EP disclosed
EP-2178885-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-04-28 EP disclosed
EP-1937328-B1 POLYMER COATING FOR MEDICAL DEVICES CV THERAPEUTICS INC (US) 2009-08-26 EP disclosed
US-20090048239-A1 Therapeutic compounds MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
WO-2009010783-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-01-22 WO disclosed
WO-2009010785-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-01-22 WO disclosed
US-7419709-B2 Polymer coating for medical devices CV THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
WO-2007041972-A1 POLYMER COATING FOR MEDICAL DEVICES CV THERAPEUTICS, INC. (US) 2007-04-19 WO disclosed
US-20070071926-A1 Polymer coating for medical devices RYPACEK FRANTISEK 2007-03-29 US disclosed
US-20070071879-A1 Polymer coating for medical devices RYPACEK FRANTISEK 2007-03-29 US disclosed
EP-1764118-A2 Polymer coating for medical devices CV THERAPEUTICS, INC. (US) 2007-03-21 EP disclosed
US-7160592-B2 Polymer coating for medical devices CV THERAPEUTICS, INC. (US) 2007-01-09 US disclosed
EP-1492581-B1 POLYMER COATING FOR MEDICAL DEVICES CV THERAPEUTICS INC (US) 2006-12-20 EP disclosed
US-20060093771-A1 Polymer coating for medical devices CV THERAPEUTICS, INC. 2006-05-04 US disclosed
EP-1492581-A1 POLYMER COATING FOR MEDICAL DEVICES CV THERAPEUTICS, INC. (US) 2005-01-05 EP disclosed
US-20030219562-A1 Polymer coating for medical devices CV THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003068289-A1 POLYMER COATING FOR MEDICAL DEVICES CV THERAPEUTICS, INC. (US) 2003-08-21 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 (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-20090048239-A1 Therapeutic compounds RRP1B, RCE1, CTSZ PARP1 1571/4885KIF11 3194/4885HCRTR1 2785/4885

“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.