SCHEMBL18321998

SCHEMBL18321998

O=C(O)CC1CCc2ccc(Br)cc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
DGAT1 O75907 1/20 0.48
ITGB3 P05106 11/20 0.46
ITGA2B P08514 11/20 0.46
CYP26A1 O43174 1/20 0.44
FFAR1 O14842 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 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
SCHEMBL29405721 1.00 CYP19A1 (0.49) CYP19A1DGAT1ITGB3ITGA2BCYP26A1
SCHEMBL9638064 0.87 CYP19A1 (0.64) CYP19A1DGAT1ITGB3ITGA2BCYP26A1
SCHEMBL6067801 0.85 METAP1 (0.46) CYP19A1DGAT1ITGB3ITGA2BFFAR1
SCHEMBL20255760 0.84 CYP19A1 (0.43) CYP19A1DGAT1CYP26A1TDP1L3MBTL1
SCHEMBL10662181 0.83 DGAT1 (0.51) CYP19A1DGAT1ITGB3ITGA2BCYP26A1
SCHEMBL18322010 0.82 HSD17B1 (0.42) CYP19A1CYP26A1
SCHEMBL28601267 0.81 FFAR1 (0.50) FFAR1
SCHEMBL28601201 0.81 FFAR1 (0.50) FFAR1
SCHEMBL10686519 0.80 CYP19A1 (0.59) CYP19A1CYP26A1TDP1L3MBTL1
SCHEMBL29679345 0.80 CYP19A1 (0.59) CYP19A1CYP26A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3766878-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-03-16 EP disclosed
CN-108137557-B Nrf2 modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-09-07 CN disclosed
EP-3766878-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-01-20 EP disclosed
EP-3307729-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-09-02 EP disclosed
US-20190224212-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2019-07-25 US disclosed
US-20190224212-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2019-07-25 US disclosed
US-10272095-B2 NRF2 regulators GlaxoSmithKline Intellectual Propert Development Limited (GB) 2019-04-30 US disclosed
US-10272095-B2 NRF2 regulators GlaxoSmithKline Intellectual Propert Development Limited (GB) 2019-04-30 US disclosed
US-20180169110-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-21 US disclosed
WO-2018104766-A1 3-(2,3-DIHYDRO-1H-INDEN-5-YL)PROPANOIC ACID DERIVATIVES AND THEIR USE AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-14 WO disclosed
EP-3307729-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-04-18 EP disclosed
WO-2016203401-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-22 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 (3 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-10272095-B2 NRF2 regulators NFE2L2, KEAP1, NQO1 CYP19A1 971/4885DGAT1 562/4885ITGB3 3651/4885
US-20190224212-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 CYP19A1 971/4885DGAT1 562/4885ITGB3 3651/4885
US-20180169110-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 CYP19A1 971/4885DGAT1 562/4885ITGB3 3651/4885

“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.