SCHEMBL179468

SCHEMBL179468

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
ALOX15 P16050 2/20 0.64
HSD17B10 Q99714 2/20 0.64
HPGD P15428 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
PKM P14618 1/20 0.57
RECQL P46063 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP2D6 P10635 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ESRRG P62508 1/20 0.48
LMNA P02545 2/20 0.46
TYR P14679 2/20 0.46
ESR1 P03372 1/20 0.45
SIRT1 Q96EB6 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 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
SCHEMBL30249992 1.00 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL29372911 0.86 ESR1 (0.61) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL4470436 0.86 ESR1 (0.52) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL544510 0.86 ESR1 (0.61) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL3047260 0.84 ALDH1A1 (0.45) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL4462227 0.84 ESR1 (0.59) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL29175419 0.84 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL179516 0.82 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL16565722 0.79 ESR1 (0.61) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5078050 0.79 ESR1 (0.46) ALDH1A1ALOX15HSD17B10HPGDTDP1

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 168 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
EP-3053992-A1 Biodiesel LANXESS Deutschland GmbH (DE) 2016-08-10 EP claimed
US-9161542-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2015-10-20 US claimed
US-20120302611-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2012-11-29 US claimed
WO-2012162595-A2 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2012-11-29 WO 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
EP-4511114-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP 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
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 EP 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
CN-101289451-A Pentacyclic fused heterocycle compounds with chinoline backbone and method for preparing same UNIV BOHAI (CN) 2008-10-22 CN disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080051383-A1 METHODS OF USING MACROCYCLIC AGONISTS OF THE GHRELIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL MOTILITY DISORDERS TRANZYME PHARMA INC. 2008-02-28 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
EP-0161484-B1 ESSENTIALLY ORTHO-LINKED POLY(ARYL ETHERS) BAYER AG (DE) 1988-09-21 EP disclosed
US-4705843-A Process for the production of substituted polyaryl ethers BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
EP-0161484-A1 Essentially ortho-linked poly(aryl ethers) BAYER AG (DE) 1985-11-21 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 (5 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 4725/4885ALOX15 2761/4885HSD17B10 2384/4885
US-20080051383-A1 METHODS OF USING MACROCYCLIC AGONISTS OF THE GHRELIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL MOTILITY DISORDERS GHSR, GIPR, GHRHR ALDH1A1 4569/4885ALOX15 1217/4885HSD17B10 2356/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD ALDH1A1 2457/4885ALOX15 2558/4885HSD17B10 1877/4885
US-20120302611-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS PRDX6, PRDX2, PRDX1 ALDH1A1 3058/4885ALOX15 1082/4885HSD17B10 2172/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 ALDH1A1 796/4885ALOX15 4263/4885HSD17B10 464/4885

“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.