SCHEMBL179516

SCHEMBL179516

CC(C)(C)c1ccc(F)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
HPGD P15428 1/20 0.64
ALOX15 P16050 1/20 0.64
HSD17B10 Q99714 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 1/20 0.52
CA9 Q16790 2/20 0.50
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
LMNA P02545 1/20 0.46
TYR P14679 1/20 0.46
CYP2D6 P10635 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
SCHEMBL15729280 0.84 CA3 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL30249992 0.82 ALDH1A1 (0.64) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL179468 0.82 ALDH1A1 (0.64) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL12732698 0.82 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL104056 0.79 CA3 (0.52) MEN1KMT2ACA9CA3CA6
SCHEMBL828570 0.78 ALDH1A1 (0.46) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29358687 0.78 ALDH1A1 (1.00) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL50705 0.78 ALDH1A1 (1.00) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL31411213 0.78 ALDH1A1 (0.73) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL340013 0.78 ALDH1A1 (0.73) ALDH1A1HPGDALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122037020-A Supported catalyst, preparation method thereof and application thereof in olefin polymerization 中国石油化工股份有限公司 2026-05-15 CN claimed
US-4152529-A Dealkylation of halogenated alkyl substituted phenols UOP INC. (US) 1979-05-01 US claimed
US-4122288-A Hydrolysis of alkyl substituted dihalobenzene compounds UOP INC. (US) 1978-10-24 US claimed
CN-122037020-A Supported catalyst, preparation method thereof and application thereof in olefin polymerization 中国石油化工股份有限公司 2026-05-15 CN disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
CN-112679635-B Preparation method of supported metallocene catalyst and catalyst prepared by preparation method 中国石油化工股份有限公司 2024-03-26 CN disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
US-4152529-A Dealkylation of halogenated alkyl substituted phenols UOP INC. (US) 1979-05-01 US disclosed
US-4152529-A Dealkylation of halogenated alkyl substituted phenols UOP INC. (US) 1979-05-01 US disclosed
US-4122288-A Hydrolysis of alkyl substituted dihalobenzene compounds UOP INC. (US) 1978-10-24 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 (6 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-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA ALDH1A1 4725/4885HPGD 4128/4885ALOX15 2761/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD ALDH1A1 2457/4885HPGD 2554/4885ALOX15 2558/4885
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS ALDH1A1 3193/4885HPGD 3127/4885ALOX15 4809/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB ALDH1A1 2702/4885HPGD 2431/4885ALOX15 4081/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 ALDH1A1 3252/4885HPGD 916/4885ALOX15 1444/4885
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 ALDH1A1 2140/4885HPGD 4007/4885ALOX15 4338/4885

“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.