SCHEMBL16852879

SCHEMBL16852879

CCOC(=O)/C=C/CCc1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
ALOX5 P09917 1/20 0.46
GPR52 Q9Y2T5 3/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.43
MDM2 Q00987 2/20 0.43
ALDH1A1 P00352 3/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TTR P02766 1/20 0.42
DPP4 P27487 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GAA P10253 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MDM4 O15151 1/20 0.41

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
SCHEMBL24611335 0.88 MAPT (0.56) MAPTGPR52RAB9ALMNAMDM2
SCHEMBL9979561 0.87 MAPT (0.58) MAPTRAB9ALMNAMDM2ALDH1A1
SCHEMBL22877414 0.84 MAPT (0.52) MAPTALOX5GPR52RAB9ALMNA
SCHEMBL24611337 0.84 MAPT (0.56) MAPTRAB9ALMNAMDM2ALDH1A1
SCHEMBL1268422 0.81 MAPT (0.62) MAPTGPR52
SCHEMBL1268421 0.81 MAPT (0.62) MAPTGPR52
SCHEMBL16831626 0.81 GAA (0.54) GPR52ALDH1A1TAAR1GAA
SCHEMBL16831625 0.81 GAA (0.54) GPR52ALDH1A1TAAR1GAA
SCHEMBL27310629 0.79 MAPT (0.59) MAPTGPR52
SCHEMBL27310628 0.79 MAPT (0.59) MAPTGPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190002454-A1 NRF2 Regulators GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-03 US disclosed
CN-105829305-B NRF2 regulator 葛兰素史密斯克莱知识产权发展有限公司 2018-11-30 CN disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
CN-105829305-A NRF2 REGULATORS 葛兰素史密斯克莱知识产权发展有限公司 2016-08-03 CN disclosed
WO-2015092713-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-06-25 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 (2 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-20190002454-A1 NRF2 Regulators NFE2L2, KEAP1, NQO1 MAPT 1861/4885ALOX5 615/4885GPR52 569/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 MAPT 1861/4885ALOX5 615/4885GPR52 569/4885

“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.