SCHEMBL632457

SCHEMBL632457

Nc1c(O)cc(O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.47
NQO1 P15559 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
FASN P49327 1/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NQO2 P16083 1/20 0.36
HSD17B10 Q99714 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
ALOX15 P16050 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA3 P07451 1/20 0.35
THRB P10828 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
SCHEMBL29433138 0.84 BACE1 (0.39) BACE1NQO1TDP1CYP3A4MEN1
SCHEMBL766082 0.84 BACE1 (0.39) BACE1NQO1TDP1CYP3A4MEN1
Hydrochloric Acid SCHEMBL10383986 0.82 CA12 (0.37) BACE1NQO1TDP1CYP3A4MEN1
SCHEMBL28856744 0.80 HSD17B10 (0.50) BACE1NQO1TDP1CYP3A4HPGD
SCHEMBL27434588 0.80 TAAR1 (0.44) BACE1NQO1TDP1CYP3A4MEN1
SCHEMBL10285567 0.80 TDP1 (0.39) BACE1NQO1TDP1CYP3A4MEN1
SCHEMBL1286281 0.80 CYP3A4 (0.46) TDP1CYP3A4MEN1KMT2AHPGD
SCHEMBL3126597 0.79 ALOX15 (0.48) TDP1CYP3A4MEN1KMT2AHPGD
SCHEMBL11798878 0.79 CASP1 (0.43) TDP1CYP3A4MEN1KMT2AHPGD
SCHEMBL1554736 0.78 MEN1 (0.41) BACE1TDP1CYP3A4MEN1KMT2A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115584093-A Fluororubber for valves and preparation method thereof 安徽道格思新材料有限公司 2023-01-10 CN claimed
CN-109354809-B high-Shore-hardness fluororubber composition 江苏奥纳森弹性体技术研究院有限公司 2021-01-08 CN claimed
CN-109851958-B High-hardness fluororubber and preparation method thereof 成都菁尚科技有限公司 2020-12-29 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-109851958-A A kind of high rigidity fluorubber and preparation method thereof 成都菁尚科技有限公司 2019-06-07 CN claimed
CN-109467855-A A kind of fluorubber of high temperature and pressure contracting ratio 江苏奥纳森弹性体技术研究院有限公司 2019-03-15 CN claimed
CN-109401144-A A kind of fluoro-rubber composite of high temperature and pressure contracting ratio and its application 江苏奥纳森弹性体技术研究院有限公司 2019-03-01 CN claimed
CN-109354809-A A kind of fluoro-rubber composite of high Shao Er hardness 江苏奥纳森弹性体技术研究院有限公司 2019-02-19 CN claimed
EP-2337809-B2 POLYCARBONATE POLYOL COMPOSITIONS AND METHODS SAUDI ARAMCO TECH CO (SA) 2023-11-29 EP disclosed
CN-111057050-B Monomer of bio-based benzoxazine resin, benzoxazine resin and preparation method thereof 浙江大学宁波理工学院 2023-03-03 CN disclosed
CN-115584093-A Fluororubber for valves and preparation method thereof 安徽道格思新材料有限公司 2023-01-10 CN disclosed
CN-113784943-A Oxygen-containing aminophenol compound and method for preventing polymerization of monomer 埃科莱布美国股份有限公司 2021-12-10 CN disclosed
CN-109354809-B high-Shore-hardness fluororubber composition 江苏奥纳森弹性体技术研究院有限公司 2021-01-08 CN disclosed
CN-109851958-B High-hardness fluororubber and preparation method thereof 成都菁尚科技有限公司 2020-12-29 CN disclosed
WO-2012058248-A2 SYSTEMS AND METHODS EXTENDING THE LASERSPRAY IONIZATION MASS SPECTROMETRY CONCEPT FROM ATMOSPHERIC PRESSURE TO VACUUM WAYNE STATE UNIVERSITY (US) 2012-05-03 WO disclosed
EP-1866357-B1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF SHOWA DENKO KK (JP) 2012-02-22 EP disclosed
US-8044235-B2 (Meth) acryloyl group-containing aromatic isocyanate compound and production process thereof SHOWA DENKO K.K. (JP) 2011-10-25 US disclosed
US-20090054543-A1 (Meth) Acryloyl Group-Containing Aromatic Isocyanate Compound and Production Process Thereof SHOWA DENKO K.K. (JP) 2009-02-26 US disclosed
US-5350424-A Dyestuff composition for the gradual dyeing of hair by atmospheric oxidation and process using the same COMBE INCORPORATED (US) 1994-09-27 US disclosed
EP-0593038-A1 Dyestuff composition for the gradual dyeing of hair by atmospheric oxidation and process using the same COMBE INCORPORATED (US) 1994-04-20 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 (1 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-20090054543-A1 (Meth) Acryloyl Group-Containing Aromatic Isocyanate Compound and Production Process Thereof PRMT5, ACR, PRMT1 BACE1 4061/4885NQO1 917/4885TDP1 3531/4885

“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.