SCHEMBL16852835

SCHEMBL16852835

CCOC(=O)/C=C/CCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
ALDH1A1 P00352 3/20 0.51
HCAR2 Q8TDS4 1/20 0.48
TTR P02766 1/20 0.39
DPP4 P27487 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.37
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
MDM2 Q00987 2/20 0.35
MDM4 O15151 1/20 0.35

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
SCHEMBL28675407 0.86 MAPT (0.60) MAPTALDH1A1HCAR2TTRDPP4
SCHEMBL30968801 0.86 MAPT (0.60) MAPTALDH1A1HCAR2TTRDPP4
SCHEMBL27700854 0.85 TDP1 (0.49) MAPTALDH1A1HCAR2CA12CA1
SCHEMBL11597518 0.83 MAPT (0.56) MAPTALDH1A1HCAR2TTRDPP4
SCHEMBL11597523 0.83 MAPT (0.56) MAPTALDH1A1HCAR2TTRDPP4
SCHEMBL19417330 0.80 MAPT (0.62) MAPTALDH1A1HCAR2TTRDPP4
SCHEMBL6673309 0.80 HCAR2 (0.52) MAPTALDH1A1HCAR2TTRDPP4
SCHEMBL1126891 0.80 HCAR2 (0.52) MAPTALDH1A1HCAR2TTRDPP4
SCHEMBL28541 0.80 HCAR2 (0.52) MAPTALDH1A1HCAR2TTRDPP4
SCHEMBL127141 0.80 HCAR2 (0.42) MAPTALDH1A1HCAR2CA12CA1

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 4 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-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US 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 (2 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 MAPT 1861/4885ALDH1A1 799/4885HCAR2 981/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 MAPT 1861/4885ALDH1A1 799/4885HCAR2 981/4885

“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.