SCHEMBL16831751

SCHEMBL16831751

COc1cnc(C)c(C=CC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
ATM Q13315 1/20 0.46
GAA P10253 2/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PTGS2 P35354 2/20 0.43
JUN P05412 1/20 0.42
NFKB1 P19838 1/20 0.42
KDM4E B2RXH2 4/20 0.41
PKM P14618 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
SNCA P37840 1/20 0.41
CA7 P43166 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
SCHEMBL16831750 1.00 THRB (0.46) THRBATMGAAALDH1A1SMN1; SMN2
SCHEMBL16852819 0.82 MAOB (0.48) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL29935843 0.76 ERN1 (0.46) ALDH1A1KDM4EHPGDF2GLA
SCHEMBL20425589 0.75 NNMT (0.54) THRBATMGAAALDH1A1SMN1; SMN2
SCHEMBL21001958 0.75 THRB (0.53) THRBATMGAAALDH1A1SMN1; SMN2
SCHEMBL593294 0.75 KDM4E (0.53) THRBATMGAAALDH1A1KDM4E
SCHEMBL593293 0.75 KDM4E (0.53) THRBATMGAAALDH1A1KDM4E
SCHEMBL4132887 0.74 THRB (0.45) THRBATMGAAALDH1A1SMN1; SMN2
SCHEMBL4132881 0.74 THRB (0.45) THRBATMGAAALDH1A1SMN1; SMN2
SCHEMBL16720848 0.73 PTGES (0.50) GAAALDH1A1GLAMEN1MAPT

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 5 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
US-10144731-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-04 US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
EP-3083614-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-10-26 EP 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 (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-20190002454-A1 NRF2 Regulators NFE2L2, KEAP1, NQO1 THRB 585/4885ATM 2891/4885GAA 2667/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 THRB 585/4885ATM 2891/4885GAA 2667/4885
US-10144731-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 THRB 585/4885ATM 2891/4885GAA 2667/4885

“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.