SCHEMBL1136688

SCHEMBL1136688

Brc1ccc(Oc2ccccc2)cc1.[MgH2]

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.63
TSHR P16473 2/20 0.63
MAPT P10636 1/20 0.58
NR1H2 P55055 1/20 0.54
BAX Q07812 1/20 0.54
MAOA P21397 1/20 0.54
ALDH1A1 P00352 3/20 0.50
MCL1 Q07820 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
MAPK1 P28482 1/20 0.48
GSTP1 P09211 1/20 0.45
SOS1 Q07889 1/20 0.45
CA9 Q16790 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PLA2G2A P14555 1/20 0.45

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
SCHEMBL314422 0.97 LTA4H (0.67) LTA4HTSHRMAPTNR1H2BAX
SCHEMBL18105336 0.97 LTA4H (0.67) LTA4HTSHRMAPTNR1H2BAX
SCHEMBL5943091 0.90 ALDH1A1 (0.64) LTA4HTSHRMAPTNR1H2BAX
Diphenylether SCHEMBL27982791 0.89 LTA4H (0.71) LTA4HTSHRMAPTNR1H2BAX
Anisole SCHEMBL29291357 0.86 LTA4H (0.78) LTA4HTSHRMAPTNR1H2BAX
SCHEMBL3842527 0.86 MAPT (0.74) LTA4HTSHRMAPTMAOAALDH1A1
SCHEMBL3843978 0.86 MAPT (0.74) LTA4HTSHRMAPTMAOAALDH1A1
SCHEMBL391385 0.86 MAPT (0.74) LTA4HTSHRMAPTMAOAALDH1A1
SCHEMBL29477934 0.85 SLC6A4 (0.55) LTA4HTSHRMAPTNR1H2BAX
SCHEMBL18096778 0.85 SLC6A4 (0.55) LTA4HTSHRMAPTNR1H2BAX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620869-B Preparation method of betrixaban 江西同和药业股份有限公司 2023-04-18 CN claimed
CN-113620869-A Preparation method of betrixaban 江西同和药业股份有限公司 2021-11-09 CN claimed
CN-118791384-A Synthesis process of famoxadone intermediate 2- (4-phenoxyphenyl) ethyl lactate 安徽广信农化股份有限公司 2024-10-18 CN disclosed
CN-116730939-A Preparation method of famoxadone characteristic impurities 如东众意化工有限公司 2023-09-12 CN disclosed
CN-113620869-B Preparation method of betrixaban 江西同和药业股份有限公司 2023-04-18 CN disclosed
CN-113620869-A Preparation method of betrixaban 江西同和药业股份有限公司 2021-11-09 CN disclosed
EP-2019106-B1 (Thio)Phenoxy Phenyl Silane Composition And Method For Making Same ROHM & HAAS (US) 2013-11-27 EP disclosed
US-7956125-B2 (Thio)phenoxy phenyl silane compostion and method for making same ROHM AND HAAS COMPANY (US) 2011-06-07 US disclosed
EP-1896434-B1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFkB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
US-7642262-B2 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2010-01-05 US disclosed
US-20090039313-A1 (Thio)phenoxy phenyl silane compostion and method for making same ROHM AND HAAS COMPANY (US) 2009-02-12 US disclosed
US-6048876-A ANTICONVULSANTS; ANTIEPILEPIC AGENT SUNTORY LIMITED (JP) 2000-04-11 US disclosed
EP-0958280-A1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME SUNTORY LIMITED (JP) 1999-11-24 EP disclosed
WO-1999023072-A1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME SUNTORY LIMITED (JP) 1999-05-14 WO disclosed
US-5723475-A Arylpiperidine and arylpiperazine derivatives and medicament containing the same SUNTORY LIMITED (JP) 1998-03-03 US disclosed
EP-0757986-A1 ARYLPIPERIDINE AND ARYLPIPERAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-12 EP disclosed
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 EP disclosed
EP-0024943-B1 5,6,7-TRINOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TORAY INDUSTRIES, INC. (JP) 1983-08-17 EP disclosed
US-4301164-A FOR USE AS ANTIULCER AGENTS, HYPOTENSIVE AGENTS, ANTITHROMBOSIC AGENTS TORAY INDUSTRIES, INC. (JP) 1981-11-17 US disclosed
EP-0024943-A1 5,6,7-Trinor-4,8-inter-m-phenylene PGI2 derivatives and pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1981-03-11 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-20090039313-A1 (Thio)phenoxy phenyl silane compostion and method for making same TPMT, TTR, TST LTA4H 671/4885TSHR 3707/4885MAPT 198/4885

“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.