SCHEMBL8375818

SCHEMBL8375818

CCOC(=O)/C=C/c1ccc(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
CYP3A4 P08684 1/20 0.50
TTR P02766 1/20 0.49
DPP4 P27487 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
ESR1 P03372 1/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
NFE2L2 Q16236 3/20 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
SCHEMBL8375820 1.00 POLB (0.56) POLBMAPTRAB9ACYP3A4TTR
SCHEMBL2325697 0.89 CYP3A4 (0.51) POLBMAPTRAB9ACYP3A4TTR
SCHEMBL2325706 0.89 CYP3A4 (0.51) POLBMAPTRAB9ACYP3A4TTR
SCHEMBL31390627 0.89 CYP3A4 (0.51) POLBMAPTRAB9ACYP3A4TTR
SCHEMBL3501821 0.88 CYP3A4 (0.54) POLBMAPTRAB9ACYP3A4TTR
SCHEMBL4514546 0.88 ESR1 (0.57) POLBMAPTRAB9ACYP3A4TTR
SCHEMBL4514544 0.88 ESR1 (0.57) POLBMAPTRAB9ACYP3A4TTR
SCHEMBL13678677 0.88 ESR1 (0.57) POLBMAPTRAB9ACYP3A4TTR
SCHEMBL30235603 0.88 ESR1 (0.57) POLBMAPTRAB9ACYP3A4TTR
SCHEMBL13311781 0.88 CYP3A4 (0.54) POLBMAPTRAB9ACYP3A4TTR

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 9 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
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed
US-5068371-A Photoinitiators for polymerization CIBA-GEIGY CORPORATION (US) 1991-11-26 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 (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 POLB 1963/4885MAPT 1861/4885RAB9A 2549/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 POLB 1963/4885MAPT 1861/4885RAB9A 2549/4885

“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.