SCHEMBL2002432

SCHEMBL2002432

O=C(Cl)C1(Cl)CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.32
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
CACNA2D1 P54289 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11825332 1.00 CYP2C19 (0.32) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL11815232 0.91
SCHEMBL1880025 0.84
SCHEMBL1477910 0.77 CYP2C19 (0.42) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL1421 0.77 CYP2C19 (0.42) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL6917016 0.74 CYP2C19 (0.41) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL6917012 0.74 CYP2C19 (0.41) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL6914957 0.74 CYP2C19 (0.41) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL1999275 0.74 TSHR (0.33) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL6913628 0.74 CYP2C19 (0.41) CYP2C19USP2ALDH1A1LMNACYP1A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110234635-A Novel substituted benzimidazole derivatives as D-amino oxidase (DAAO) inhibitors 宇凤·简·曾 2019-09-13 CN disclosed
US-9682911-B2 Method for producing α-halogenoacetophenon compound, and α-bromoacetophenon compound FUJIFILM CORPORATION (JP) 2017-06-20 US disclosed
US-9682911-B2 Method for producing α-halogenoacetophenon compound, and α-bromoacetophenon compound FUJIFILM CORPORATION (JP) 2017-06-20 US disclosed
EP-3053908-A1 METHOD FOR PRODUCING alpha-HALOGENOACETOPHENON COMPOUND, AND alpha-BROMOACETOPHENON COMPOUND FUJIFILM Corporation (JP) 2016-08-10 EP disclosed
US-20160200654-A1 METHOD FOR PRODUCING ALPHA-HALOGENOACETOPHENON COMPOUND, AND ALPHA-BROMOACETOPHENON COMPOUND FUJIFILM CORPORATION (JP) 2016-07-14 US disclosed
US-20160200654-A1 METHOD FOR PRODUCING ALPHA-HALOGENOACETOPHENON COMPOUND, AND ALPHA-BROMOACETOPHENON COMPOUND FUJIFILM CORPORATION (JP) 2016-07-14 US disclosed
EP-1857471-B1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER MITSUI CHEMICALS INC (JP) 2013-04-24 EP disclosed
US-7960305-B2 a mixture of a phosphazenium compound such as tetrakis[tris(dimethylamino)phosphoranylideneamino]phosphonium chloride, transition metal halides and an organic halogen compound as an activator, used for addition homo/copolymerization; living polymers MITSUI CHEMICALS, INC. (JP) 2011-06-14 US disclosed
US-20080177014-A1 Polymerization Catalyst Composition and Process for Production of Polymer MITSUI CHEMICALS, INC. (JP) 2008-07-24 US disclosed
EP-1857471-A1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER Mitsui Chemicals, Inc. (JP) 2007-11-21 EP disclosed
US-3954730-A ANTIBIOTICS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-04 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 (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-20160200654-A1 METHOD FOR PRODUCING ALPHA-HALOGENOACETOPHENON COMPOUND, AND ALPHA-BROMOACETOPHENON COMPOUND CYP2B6, CYP2A6, CA6 CYP2C19 467/4885USP2 1735/4885ALDH1A1 479/4885

“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.