SCHEMBL16831963

SCHEMBL16831963

CCn1ccc(/C=C/C(=O)O)cc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 3/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA3 P07451 3/20 0.44
CA4 P22748 3/20 0.44
CA6 P23280 3/20 0.44
CA5A P35218 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA5B Q9Y2D0 3/20 0.44
AKR1B10 O60218 3/20 0.44
AKR1B1 P15121 3/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
HDAC3 O15379 2/20 0.44

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
SCHEMBL16831964 1.00 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2HSD17B10CA12
SCHEMBL16832019 0.88 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HSD17B10CA12
SCHEMBL16832018 0.88 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HSD17B10CA12
SCHEMBL10375965 0.85 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2HSD17B10CA12
SCHEMBL10375966 0.85 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2HSD17B10CA12
SCHEMBL16852806 0.82 TTR (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL16831650 0.79 TUBB4A (0.51) KDM4EALDH1A1SMN1; SMN2HSD17B10CA12
SCHEMBL16831652 0.79 TUBB4A (0.51) KDM4EALDH1A1SMN1; SMN2HSD17B10CA12
SCHEMBL24569275 0.75 PIK3CD (0.38) KDM4EALDH1A1MAPK1LMNAMAPT
SCHEMBL18195226 0.72 TTR (0.53) CA12CA1CA2CA7CA9

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 KDM4E 1805/4885ALDH1A1 799/4885SMN1; SMN2 3477/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 KDM4E 1805/4885ALDH1A1 799/4885SMN1; SMN2 3477/4885
US-10144731-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 KDM4E 1805/4885ALDH1A1 799/4885SMN1; SMN2 3477/4885

“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.