SCHEMBL5010354

SCHEMBL5010354

COCCCC=CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.40
PTPN1 P18031 2/20 0.40
GABRR1 P24046 2/20 0.39
GABRR2 P28476 2/20 0.39
BLM P54132 2/20 0.39
GABRR3 A8MPY1 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
APEX1 P27695 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HCAR2 Q8TDS4 5/20 0.39
TBXAS1 P24557 2/20 0.37
LPAR3 Q9UBY5 1/20 0.36

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
SCHEMBL16831416 1.00 ALDH1A1 (0.43) ALDH1A1MAPTPTPN1GABRR1GABRR2
SCHEMBL2552670 0.92 ALDH1A1 (0.50) ALDH1A1PTPN1HCAR2TBXAS1LPAR3
SCHEMBL2549349 0.92 ALDH1A1 (0.50) ALDH1A1PTPN1HCAR2TBXAS1LPAR3
SCHEMBL700035 0.92 ALDH1A1 (0.50) ALDH1A1PTPN1HCAR2TBXAS1LPAR3
SCHEMBL700036 0.92 ALDH1A1 (0.50) ALDH1A1PTPN1HCAR2TBXAS1LPAR3
SCHEMBL2552304 0.92 ALDH1A1 (0.50) ALDH1A1PTPN1HCAR2TBXAS1LPAR3
SCHEMBL4888380 0.86
SCHEMBL9748238 0.86
SCHEMBL5010352 0.83 MAPT (0.40) ALDH1A1MAPTTSHRLPAR3
SCHEMBL10580328 0.83 MAPT (0.40) ALDH1A1MAPTPTPN1TSHRLPAR3

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
CN-117999295-A Polymer for water repellent, water repellent composition, and water repellent treated product 日油株式会社 2024-05-07 CN disclosed
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
US-8450033-B2 Electrography; facsimiles, printers, copiers; polyurethanes RICOH COMPANY, LTD. (JP) 2013-05-28 US disclosed
US-20080138728-A1 LATENT ELECTROSTATIC IMAGE BEARING MEMBER, AND IMAGE FORMING APPARATUS, IMAGE FORMING METHOD AND PROCESS CARTRIDGE USING THE SAME RICOH COMPANY, LTD. (JP) 2008-06-12 US 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 ALDH1A1 799/4885MAPT 1861/4885PTPN1 3313/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 ALDH1A1 799/4885MAPT 1861/4885PTPN1 3313/4885
US-10144731-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 ALDH1A1 799/4885MAPT 1861/4885PTPN1 3313/4885

“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.