SCHEMBL18322010

SCHEMBL18322010

CCOC(=O)CC1CCc2ccc(Br)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP19A1 P11511 2/20 0.41
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
TDP2 O95551 1/20 0.38
CYP26A1 O43174 2/20 0.37
CYP24A1 Q07973 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
SCHEMBL18321998 0.82 CYP19A1 (0.49) CYP19A1CYP26A1
SCHEMBL29405721 0.82 CYP19A1 (0.49) CYP19A1CYP26A1
SCHEMBL7798239 0.81 CYP26A1 (0.57) HSD17B1CYP11B1CYP11B2CYP19A1CYP26A1
SCHEMBL449624 0.80 MEN1 (0.57) BRD4ALDH1A1KMT2AMAPTHPGD
SCHEMBL17195438 0.80 CYP24A1 (0.46) HSD17B1CYP11B1CYP11B2CYP19A1CYP26A1
SCHEMBL8531158 0.79 KMT2A (0.48) ALDH1A1KMT2AKDM4EGAA
SCHEMBL30759564 0.78 MAPT (0.45) BRD4ALDH1A1KMT2AMAPTHPGD
SCHEMBL27120697 0.78 MAPT (0.45) BRD4ALDH1A1KMT2AMAPTHPGD
SCHEMBL10754664 0.78 CYP26A1 (0.49) HSD17B1CYP11B1CYP11B2CYP19A1HSD17B10
SCHEMBL20255760 0.78 CYP19A1 (0.43) CYP19A1ALDH1A1MAPTCYP26A1

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 13 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
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 HSD17B1 1144/4885CYP11B1 118/4885CYP11B2 141/4885
US-20190224212-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 HSD17B1 1144/4885CYP11B1 118/4885CYP11B2 141/4885
US-20180169110-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 HSD17B1 1144/4885CYP11B1 118/4885CYP11B2 141/4885

“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.