SCHEMBL1373430

SCHEMBL1373430

COc1ccc(C(=O)C2CCC2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
GAA P10253 2/20 0.61
KMT2A Q03164 1/20 0.61
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
MAPK1 P28482 1/20 0.53
DGAT1 O75907 1/20 0.52
POLB P06746 1/20 0.51
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
LMNA P02545 2/20 0.47
HSD11B1 P28845 1/20 0.46

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
SCHEMBL11375878 0.90 GAA (0.61) ALDH1A1GAAKMT2ANPC1RAB9A
SCHEMBL11375879 0.90 GAA (0.61) ALDH1A1GAAKMT2ANPC1RAB9A
SCHEMBL2992502 0.83 NPC1 (0.69) ALDH1A1GAAKMT2ANPC1RAB9A
SCHEMBL2992505 0.83 NPC1 (0.69) ALDH1A1GAAKMT2ANPC1RAB9A
SCHEMBL2992510 0.83 NPC1 (0.69) ALDH1A1GAAKMT2ANPC1RAB9A
SCHEMBL4886805 0.80 DGAT1 (0.79) KMT2ANPC1RAB9ADGAT1POLB
SCHEMBL6995755 0.79 ALDH1A1 (0.65) ALDH1A1GAAKMT2ANPC1RAB9A
Bicarbonate SCHEMBL11475731 0.79 NPC1 (0.83) ALDH1A1GAAKMT2ANPC1RAB9A
SCHEMBL1148371 0.78 NPC1 (0.89) ALDH1A1GAAKMT2ANPC1RAB9A
SCHEMBL5350433 0.78 NPC1 (0.89) ALDH1A1GAAKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502918-B1 Pyridazinone Derivatives CEPHALON INC (US) 2015-03-25 EP disclosed
EP-2502918-B1 Pyridazinone Derivatives CEPHALON INC (US) 2015-03-25 EP disclosed
US-20140142088-A1 PYRIDAZINONE DERIVATIVES CEPHALON, INC. (US) 2014-05-22 US disclosed
US-20140142088-A1 PYRIDAZINONE DERIVATIVES CEPHALON, INC. (US) 2014-05-22 US disclosed
US-20140142088-A1 PYRIDAZINONE DERIVATIVES CEPHALON, INC. (US) 2014-05-22 US disclosed
US-8673916-B2 Methods of treating disorders mediated by histamine H3 receptors using pyridazinone derivatives CEPHALON, INC. (US) 2014-03-18 US disclosed
US-8673916-B2 Methods of treating disorders mediated by histamine H3 receptors using pyridazinone derivatives CEPHALON, INC. (US) 2014-03-18 US disclosed
US-8673916-B2 Methods of treating disorders mediated by histamine H3 receptors using pyridazinone derivatives CEPHALON, INC. (US) 2014-03-18 US disclosed
US-8586588-B2 Aryl pyridazinone derivatives and their use as H3 receptor ligands CEPHALON, INC. (US) 2013-11-19 US disclosed
US-8586588-B2 Aryl pyridazinone derivatives and their use as H3 receptor ligands CEPHALON, INC. (US) 2013-11-19 US disclosed
US-20100280007-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-11-04 US disclosed
US-20100273779-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-10-28 US disclosed
US-20100273779-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-10-28 US disclosed
US-20100273779-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-10-28 US disclosed
EP-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed
US-20080027041-A1 Pyridizinone derivatives CEPHALON, INC. (US) 2008-01-31 US disclosed
US-20080027041-A1 Pyridizinone derivatives CEPHALON, INC. (US) 2008-01-31 US disclosed
US-20080027041-A1 Pyridizinone derivatives CEPHALON, INC. (US) 2008-01-31 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 (4 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-20080027041-A1 Pyridizinone derivatives H1-5, H1-3, H1-4 ALDH1A1 754/4885GAA 2452/4885KMT2A 148/4885
US-20100280007-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 ALDH1A1 792/4885GAA 144/4885KMT2A 203/4885
US-20140142088-A1 PYRIDAZINONE DERIVATIVES HRH3, HNMT, HRH4 ALDH1A1 781/4885GAA 113/4885KMT2A 146/4885
US-20100273779-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 ALDH1A1 792/4885GAA 144/4885KMT2A 203/4885

“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.