SCHEMBL1373141

SCHEMBL1373141

CCOC(=O)C(C)(C)CC(=O)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
ESR2 Q92731 1/20 0.56
CA14 Q9ULX7 1/20 0.56
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B3 P37058 8/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.45
CHRM1 P11229 1/20 0.45
TSHR P16473 1/20 0.45
SLC6A2 P23975 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL20143674 0.85 ALDH1A1 (0.50) ALDH1A1POLBNPSR1NPC1RAB9A
SCHEMBL10596544 0.85 TSHR (0.56) ALDH1A1POLBNPSR1NPC1RAB9A
SCHEMBL12121920 0.85 POLB (0.66) ALDH1A1POLBNPSR1NPC1RAB9A
SCHEMBL4232023 0.81 LMNA (0.53) ALDH1A1POLBNPSR1NPC1RAB9A
SCHEMBL21294046 0.80 ALDH1A1 (0.44) ESR1CA12CA1CA2CA7
SCHEMBL12895339 0.79 ALDH1A1 (0.54) ESR1CA12CA1CA2CA7
SCHEMBL5884552 0.78 CA12 (0.58) ESR1CA12CA1CA2CA7
SCHEMBL8486868 0.78 ESR1 (0.50) ESR1CA12CA1CA2CA7
SCHEMBL9733475 0.77 HSD17B3 (0.52) ESR1CA12CA1CA2CA7
SCHEMBL15944050 0.76 HSD17B3 (0.53) ESR1CA12CA1CA2CA7

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2069312-B1 PYRIDIZINONE DERIVATIVES CEPHALON INC (US) 2012-11-07 EP disclosed
EP-2502918-A1 Pyridizinone Derivatives Cephalon, Inc. (US) 2012-09-26 EP disclosed
EP-2492263-A1 Pyridizinone Derivatives Cephalon, Inc. (US) 2012-08-29 EP disclosed
US-8247414-B2 Pyridizinone derivatives and the use thereof as H3 inhibitors CEPHALON, INC. (US) 2012-08-21 US disclosed
US-8207168-B2 Pyridazinone derivatives CEPHALON, INC. (US) 2012-06-26 US disclosed
US-20110288075-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2011-11-24 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
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
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 (5 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 ESR1 2197/4885CA12 4332/4885CA1 4298/4885
US-20100280007-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 ESR1 2299/4885CA12 4825/4885CA1 4082/4885
US-20110288075-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 ESR1 2434/4885CA12 4812/4885CA1 4005/4885
US-20140142088-A1 PYRIDAZINONE DERIVATIVES HRH3, HNMT, HRH4 ESR1 2300/4885CA12 4825/4885CA1 4135/4885
US-20100273779-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 ESR1 2299/4885CA12 4825/4885CA1 4082/4885

“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.