SCHEMBL3545812

SCHEMBL3545812

O=NC1CCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
EPHX1 P07099 1/20 0.45
HIF1A Q16665 1/20 0.45
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MAPT P10636 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3546432 1.00 ALDH1A1 (0.48) ALDH1A1EPHX1HIF1ACES2CES1
SCHEMBL249058 1.00
SCHEMBL18713185 1.00 ALDH1A1 (0.48) ALDH1A1EPHX1HIF1ACES2CES1
SCHEMBL3542888 1.00 ALDH1A1 (0.48) ALDH1A1EPHX1HIF1ACES2CES1
SCHEMBL19590919 1.00 ALDH1A1 (0.48) ALDH1A1EPHX1HIF1ACES2CES1
SCHEMBL14456664 1.00 ALDH1A1 (0.48) ALDH1A1EPHX1HIF1ACES2CES1
SCHEMBL3195805 1.00 ALDH1A1 (0.48) ALDH1A1EPHX1HIF1ACES2CES1
SCHEMBL3544633 1.00 ALDH1A1 (0.48) ALDH1A1EPHX1HIF1ACES2CES1
SCHEMBL3542649 1.00
SCHEMBL279393 0.96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623967-B2 Polymers functionalized with nitroso compounds BRIDGESTONE CORPORATION (JP) 2014-01-07 US claimed
US-20130096264-A1 POLYMERS FUNCTIONALIZED WITH NITROSO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2013-04-18 US claimed
US-8188195-B2 Polymers functionalized with nitroso compounds BRIDGESTONE CORPORATION (JP) 2012-05-29 US claimed
US-20100168378-A1 POLYMERS FUNCTIONALIZED WITH NITROSO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-07-01 US claimed
US-9670299-B2 Polymers functionalized with nitroso compounds BRIDGESTONE CORPORATION (JP) 2017-06-06 US disclosed
US-20160032030-A1 POLYMERS FUNCTIONALIZED WITH NITROSO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2016-02-04 US disclosed
US-9127100-B2 Polymers functionalized with nitroso compounds BRIDGESTONE CORPORATION (JP) 2015-09-08 US disclosed
US-20140221630-A1 METHOD AND SYSTEM FOR PROCESSING OF AQUATIC SPECIES PA LLC (US) 2014-08-07 US disclosed
US-20140100340-A1 POLYMERS FUNCTIONALIZED WITH NITROSO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2014-04-10 US disclosed
US-8623967-B2 Polymers functionalized with nitroso compounds BRIDGESTONE CORPORATION (JP) 2014-01-07 US disclosed
US-20130096264-A1 POLYMERS FUNCTIONALIZED WITH NITROSO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2013-04-18 US disclosed
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP disclosed
US-8188195-B2 Polymers functionalized with nitroso compounds BRIDGESTONE CORPORATION (JP) 2012-05-29 US disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-20100168378-A1 POLYMERS FUNCTIONALIZED WITH NITROSO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-07-01 US disclosed
EP-2130583-A1 METHOD FOR PRODUCING CARBONYL COMPOUND Daicel Chemical Industries, Ltd. (JP) 2009-12-09 EP disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP 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-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 ALDH1A1 371/4885EPHX1 584/4885HIF1A 1654/4885

“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.