SCHEMBL9689786

SCHEMBL9689786

COc1cccc(/C=C/C(=O)O)c1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
GAA P10253 1/20 0.59
NFE2L2 Q16236 4/20 0.57
TFEB P19484 1/20 0.57
NPC1 O15118 2/20 0.55
MAPT P10636 2/20 0.55
RAB9A P51151 2/20 0.55
LMNA P02545 2/20 0.55
BCHE P06276 1/20 0.55
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.50
PTGER4 P35408 1/20 0.50
PTGER3 P43115 1/20 0.50
PTGER2 P43116 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL16831490 1.00 KDM4E (0.68) KDM4EGAANFE2L2TFEBNPC1
SCHEMBL2434694 0.86 KDM4E (0.54) KDM4EGAANFE2L2TFEBNPC1
SCHEMBL2434683 0.86 KDM4E (0.54) KDM4EGAANFE2L2TFEBNPC1
Coumarinic Acid Methyl Ether SCHEMBL79060 0.86 NFE2L2 (0.77) KDM4EGAANFE2L2TFEBNPC1
Coumarinic Acid Methyl Ether SCHEMBL29369917 0.86 NFE2L2 (0.77) KDM4EGAANFE2L2TFEBNPC1
Coumarinic Acid Methyl Ether SCHEMBL83064 0.86 NFE2L2 (0.77) KDM4EGAANFE2L2TFEBNPC1
Coumarinic Acid Methyl Ether SCHEMBL714857 0.86 NFE2L2 (0.77) KDM4EGAANFE2L2TFEBNPC1
SCHEMBL6776487 0.85 NFE2L2 (0.79) KDM4EGAANFE2L2TFEBNPC1
SCHEMBL457033 0.85 NFE2L2 (0.79) KDM4EGAANFE2L2TFEBNPC1
SCHEMBL1056670 0.85 NFE2L2 (0.79) KDM4EGAANFE2L2TFEBNPC1

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 8 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
EP-0249301-B1 Pyrido[2,3-b]indoles BEECHAM GROUP PLC (GB) 1992-05-27 EP disclosed
US-4952584-A TREATMENT OF PROPHYLAXIS OF ANXIETY OR DEPRESSION BEECHAM GROUP P.L.C. (GB) 1990-08-28 US disclosed
EP-0249301-A1 Pyrido[2,3-b]indoles BEECHAM GROUP PLC (GB) 1987-12-16 EP 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 1805/4885GAA 2667/4885NFE2L2 1/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 KDM4E 1805/4885GAA 2667/4885NFE2L2 1/4885
US-10144731-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 KDM4E 1805/4885GAA 2667/4885NFE2L2 1/4885

“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.