SCHEMBL14993281

SCHEMBL14993281

CC(C)/[N+]([O-])=C/c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
FBP1 P09467 1/20 0.42
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
MIF P14174 1/20 0.37
APP P05067 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL14993280 1.00 EGFR (0.42) EGFRFBP1ESR1ESR2PDCD1
SCHEMBL14993283 1.00 EGFR (0.42) EGFRFBP1ESR1ESR2PDCD1
SCHEMBL9891035 0.89 NPC1 (0.41) FBP1ALDH1A1MAPTNPC1RAB9A
SCHEMBL6776338 0.79 APP (0.37) APPALDH1A1MAPTNPC1RAB9A
SCHEMBL13924679 0.78 NPC1 (0.45) FBP1ALDH1A1MAPTNPC1RAB9A
SCHEMBL566832 0.78 NPC1 (0.45) FBP1ALDH1A1MAPTNPC1RAB9A
SCHEMBL13232789 0.77 FBP1 (0.50) EGFRFBP1CA1CA2ALDH1A1
SCHEMBL5267615 0.76 ALDH1A1 (0.49) APPALDH1A1MAPTNPC1RAB9A
SCHEMBL9631799 0.76 EGFR (0.47) EGFRFBP1ESR1ESR2ALDH5A1
SCHEMBL6771097 0.75 LOXL2 (0.41) ABATCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3270876-B1 NITRONE INHIBITION OF OXIDATION OF UNSATURATED FATS DOW GLOBAL TECHNOLOGIES LLC (US) 2021-12-22 EP claimed
CN-107427430-B Nitrone inhibition of oxidation of unsaturated fats 陶氏环球技术有限责任公司 2020-12-04 CN claimed
US-20200289392-A1 A MELANOGENESIS INHIBITOR COMPOSITION DOW GLOBAL TECHNOLOGIES LLC (US) 2020-09-17 US claimed
EP-3644947-A1 A MELANOGENESIS INHIBITOR COMPOSITION Dow Global Technologies LLC (US) 2020-05-06 EP claimed
CN-110769808-A Melanin production inhibitor composition 陶氏环球技术有限责任公司 2020-02-07 CN claimed
EP-2785316-B1 NITRONE COMPOUNDS FOR USE AS ANTIOXIDANT IN PERSONAL CARE DOW GLOBAL TECHNOLOGIES LLC (US) 2019-06-19 EP claimed
EP-3270875-B1 NITRONE INHIBITION OF OXIDATION OF UNSATURATED FATS DOW GLOBAL TECHNOLOGIES LLC (US) 2019-05-01 EP claimed
WO-2019005437-A1 A MELANOGENESIS INHIBITOR COMPOSITION DOW GLOBAL TECHNOLOGIES LLC (US) 2019-01-03 WO claimed
US-10137071-B2 Nitrone inhibition of oxidation of unsaturated fats DOW GLOBAL TECHNOLOGIES LLC (US) 2018-11-27 US claimed
US-10130574-B2 Nitrone inhibition of oxidation of unsaturated fats DOW GLOBAL TECHNOLOGIES LLC (US) 2018-11-20 US claimed
EP-3270875-A1 NITRONE INHIBITION OF OXIDATION OF UNSATURATED FATS Dow Global Technologies LLC (US) 2018-01-24 EP claimed
WO-2016154018-A9 NITRONE INHIBITION OF OXIDATION OF UNSATURATED FATS DOW GLOBAL TECHNOLOGIES LLC (US) 2017-10-05 WO claimed
WO-2016154018-A1 NITRONE INHIBITION OF OXIDATION OF UNSATURATED FATS DOW GLOBAL TECHNOLOGIES LLC (US) 2016-09-29 WO claimed
WO-2016154022-A1 NITRONE INHIBITION OF OXIDATION OF UNSATURATED FATS DOW GLOBAL TECHNOLOGIES LLC (US) 2016-09-29 WO claimed
US-9452119-B2 Nitrone compounds and their use in personal care DOW GLOBAL TECHNOLOGIES LLC (US) 2016-09-27 US claimed
US-9452118-B2 Nitrone compounds and their use in personal care DOW GLOBAL TECHNOLOGIES LLC (US) 2016-09-27 US claimed
US-20150335546-A1 NITRONE COMPOUNDS AND THEIR USE IN PERSONAL CARE DOW GLOBAL TECHNOLOGIES LLC 2015-11-26 US claimed
US-20140303255-A1 NITRONE COMPOUNDS AND THEIR USE IN PERSONAL CARE DOW GLOBAL TECHNOLOGIES LLC 2014-10-09 US claimed
EP-2785316-A2 NITRONE COMPOUNDS AND THEIR USE IN PERSONAL CARE ANGUS Chemical Company (US) 2014-10-08 EP claimed
WO-2013081778-A2 NITRONE COMPOUNDS AND THEIR USE IN PERSONAL CARE ANGUS CHEMICAL COMPANY (US) 2013-06-06 WO claimed

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-20140303255-A1 NITRONE COMPOUNDS AND THEIR USE IN PERSONAL CARE NOX1, NOX5, NOS1 EGFR 1692/4885FBP1 3003/4885ESR1 1207/4885
US-10130574-B2 Nitrone inhibition of oxidation of unsaturated fats FASN, TXNRD2, NOS1 EGFR 4826/4885FBP1 1471/4885ESR1 1225/4885
US-10137071-B2 Nitrone inhibition of oxidation of unsaturated fats FASN, NDUFB1, FADS1 EGFR 4804/4885FBP1 1125/4885ESR1 1098/4885
US-20150335546-A1 NITRONE COMPOUNDS AND THEIR USE IN PERSONAL CARE NOX1, NOX5, NOS1 EGFR 1692/4885FBP1 3003/4885ESR1 1207/4885
US-20200289392-A1 A MELANOGENESIS INHIBITOR COMPOSITION TYR, MC1R, MITF EGFR 2025/4885FBP1 4720/4885ESR1 3976/4885

“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.