SCHEMBL652253

SCHEMBL652253

O=Cc1cccc(F)c1C=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.59
NFE2L2 Q16236 3/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
BLM P54132 1/20 0.48
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
IKBKB O14920 1/20 0.38
CYP2A6 P11509 1/20 0.36
PTGS2 P35354 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
SCHEMBL95708 0.85 ERN1 (0.50) ERN1NFE2L2MEN1KMT2ATDP1
SCHEMBL1478239 0.85 ERN1 (0.48) ERN1NFE2L2MEN1KMT2ATDP1
SCHEMBL8702525 0.85 ERN1 (0.53) ERN1NFE2L2MEN1KMT2ATDP1
SCHEMBL1990145 0.85 ERN1 (0.53) ERN1NFE2L2MEN1KMT2ATDP1
SCHEMBL547829 0.82 KMT2A (0.61) ERN1MEN1KMT2ATDP1LMNA
SCHEMBL3679599 0.81 ERN1 (0.50) ERN1NFE2L2MEN1KMT2ATDP1
SCHEMBL154794 0.78 ERN1 (0.61) ERN1NFE2L2MEN1KMT2ATDP1
SCHEMBL9658857 0.77 KMT2A (0.55) ERN1MEN1KMT2ATDP1LMNA
SCHEMBL20465749 0.77
SCHEMBL29540911 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101193843-B Production process of nucleus-halogenated methylbenzyl alcohol SHOWA DENKO KK 2011-05-04 CN claimed
CN-101193843-A Production process of nucleus-halogenated methylbenzyl alcohol SHOWA DENKO KK (JP) 2008-06-04 CN claimed
US-20240400575-A1 POLYCYCLIC COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS UNIV BARCELONA (ES) 2024-12-05 US disclosed
US-11884714-B2 Cyclic peptide analogs of melanocortin and amanitin and methods of making such THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-01-30 US disclosed
EP-3810572-B1 POLYCYCLIC COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS UNIV BARCELONA (ES) 2023-11-15 EP disclosed
US-11542397-B2 Liquid composition, quantum dot-containing film, optical film, light-emitting display element panel, and light-emitting display device TOKYO OHKA KOGYO CO., LTD. (JP) 2023-01-03 US disclosed
US-20220298219-A1 CYCLIC PEPTIDE ANALOGS OF MELANOCORTIN AND AMANITIN AND METHODS OF MAKING SUCH PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-09-22 US disclosed
US-11396535-B2 Cyclic peptide analogs of melanocortin and amanitin and methods of making such PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-07-26 US disclosed
US-20210309866-A1 LIQUID COMPOSITION, QUANTUM DOT-CONTAINING FILM, OPTICAL FILM, LIGHT-EMITTING DISPLAY ELEMENT PANEL, AND LIGHT-EMITTING DISPLAY DEVICE TOKYO OHKA KOGYO CO., LTD. (JP) 2021-10-07 US disclosed
CN-112888674-A Polycyclic compounds as soluble epoxide hydrolase inhibitors 巴塞罗那大学 2021-06-01 CN disclosed
EP-3812805-A1 LIQUID COMPOSITION, QUANTUM DOT-CONTAINING FILM, OPTICAL FILM, LUMINESCENT DISPLAY ELEMENT PANEL, AND LUMINESCENT DISPLAY DEVICE TOKYO OHKA KOGYO CO., LTD. (JP) 2021-04-28 EP disclosed
CN-1255864-A Combination of ileal bile acid transport inhibiting benzothiepines and HMG Co-A reductase inhibitors SEARLE & CO (US) 2000-06-07 CN disclosed
EP-0971744-A2 COMBINATION THERAPY EMPLOYING ILEAL BILE ACID TRANSPORT INHIBITING BENZOTHIEPINES AND HMG Co-A REDUCTASE INHIBITORS G.D. SEARLE & CO. (US) 2000-01-19 EP disclosed
US-5994391-A HYPERLIPEMIC AGENTS; ANTICHOLESTEROL AGENTS G.D. SEARLE AND COMPANY (US) 1999-11-30 US disclosed
US-5985913-A GENE EXPRESSION AND CELL GROWTH FACTORS FOR BIOSYNTHESIS OSI PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
CN-1221414-A Novel benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake SEARLE & CO (US) 1999-06-30 CN disclosed
EP-0888333-A1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE G.D. Searle & Co. (US) 1999-01-07 EP disclosed
WO-1998040375-A2 COMBINATION OF ILEAL BILE ACID TRANSPORT INHIBITING BENZOTHIEPINES AND HMG Co-A REDUCTASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-17 WO disclosed
WO-1997033882-A9 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE 1998-02-26 WO disclosed
WO-1997033882-A1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE G.D. SEARLE AND CO. (US) 1997-09-18 WO 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 (4 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-11396535-B2 Cyclic peptide analogs of melanocortin and amanitin and methods of making such MC3R, MC5R, MC4R ERN1 4597/4885NFE2L2 4670/4885MEN1 83/4885
US-11884714-B2 Cyclic peptide analogs of melanocortin and amanitin and methods of making such MC3R, MC5R, MC4R ERN1 4597/4885NFE2L2 4670/4885MEN1 83/4885
US-20220298219-A1 CYCLIC PEPTIDE ANALOGS OF MELANOCORTIN AND AMANITIN AND METHODS OF MAKING SUCH MC3R, MC5R, MC4R ERN1 4597/4885NFE2L2 4670/4885MEN1 83/4885
US-20240400575-A1 POLYCYCLIC COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 ERN1 1004/4885NFE2L2 475/4885MEN1 3481/4885

“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.