SCHEMBL258418

SCHEMBL258418

COc1ccc(OC)c(Br)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.65
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
CA7 P43166 2/20 0.65
CA9 Q16790 2/20 0.65
CA14 Q9ULX7 2/20 0.65
ALDH1A1 P00352 4/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
THRB P10828 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP1A2 P05177 3/20 0.50
CYP1A1 P04798 2/20 0.50
CYP1B1 Q16678 2/20 0.50
CYP3A4 P08684 1/20 0.50
CTSL P07711 1/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
TUBB1 Q9H4B7 3/20 0.48
IDO1 P14902 2/20 0.48

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
SCHEMBL29634588 1.00 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL5634995 0.98 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL9383598 0.91 CA12 (0.61) CA12CA1CA2CA7CA9
Isopropylamine SCHEMBL28069314 0.89 HTR2A (0.56) CA12CA1CA2CA7CA9
SCHEMBL38657587 0.88 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL31285028 0.87 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL31285041 0.87 CA12 (0.50) CA12CA1CA2CA7CA9
Propylamine SCHEMBL27607874 0.86 ADRA1A (0.56) CA12CA1CA2CA7CA9
Dimethylformamide SCHEMBL28323288 0.84 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL5057198 0.83 CA12 (0.52) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116253623-B Direct cross-coupling method of aryl fluorine sulfate and aryl bromine 南京工业大学 2024-04-05 CN claimed
CN-116554378-A Non-metallocene catalyst, preparation method and application 万华化学集团股份有限公司 2023-08-08 CN claimed
CN-112174800-B Preparation method of 2, 5-dimethoxy phenylacetic acid 爱斯特(成都)生物制药股份有限公司 2023-07-28 CN claimed
CN-116253623-A Direct cross-coupling method of aryl fluorine sulfate and aryl bromine 南京工业大学 2023-06-13 CN claimed
US-20220416316-A1 Flame Retardants For Battery Electrolytes ALBEMARLE CORPORATION 2022-12-29 US claimed
CN-114685251-B Direct cross-coupling reaction method of diaryl sulfoxide and aryl bromide 南京工业大学 2022-12-27 CN claimed
EP-4062479-A1 FLAME RETARDANTS FOR BATTERY ELECTROLYTES ALBEMARLE CORPORATION (US) 2022-09-28 EP claimed
CN-114685251-A Direct cross-coupling reaction method of diaryl sulfoxide and aryl bromide 南京工业大学 2022-07-01 CN claimed
CN-114667630-A Flame retardant for battery electrolytes 雅宝公司 2022-06-24 CN claimed
CN-113387876-B Nickel-catalyzed direct reduction cross-coupling method for heterocyclic phosphonium salt and aryl bromide and product 南京工业大学 2022-04-15 CN claimed
CN-110112414-A A kind of novel anode material, preparation method and applications 欧格尼材料科技江苏有限公司 2019-08-09 CN claimed
CN-103456982-A Functional electrolyte for improving charge-discharge efficiency of lithium ion battery and application thereof CHINA NAT OFFSHORE OIL CORP 2013-12-18 CN claimed
CN-102718800-A 3,7-di(diphenylphosphino oxyl)-2,6-diphenyl benzo difuran derivative, preparation method thereof and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2012-10-10 CN claimed
EP-2275099-A1 Treatment of faecal incontinence with 1r,2s-methoxamine Norgine Europe BV (NL) 2011-01-19 EP claimed
US-20050096397-A1 Treatment of faecal incontinence and other conditions with 1r,2s-methoxamine NORGINE EUROPE BV (NL) 2005-05-05 US claimed
EP-1458370-A1 TREATMENT OF FAECAL INCONTINENCE AND OTHER CONDITIONS WITH 1R,2S-METHOXAMINE Norgine Europe BV (NL) 2004-09-22 EP claimed
WO-2003055474-A1 TREATMENT OF FAECAL INCONTINENCE AND OTHER CONDITIONS WITH 1R, 2S-METHOXAMINE NORGINE EUROPE BV (NL) 2003-07-10 WO claimed
US-6355826-B1 HALOMETHYLATION AN AROMATIC ALDEHYDE COMPOUND AND SALT FORMATION THE GOODYEAR TIRE & RUBBER COMPANY 2002-03-12 US claimed
EP-0903338-A2 Synthesis of stable nitrile oxide compounds THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-03-24 EP claimed
US-4940807-A Selective bromination of aromatic compounds using potassium tribromide ETHYL CORPORATION (US) 1990-07-10 US claimed

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-20050096397-A1 Treatment of faecal incontinence and other conditions with 1r,2s-methoxamine HTR1D, MTNR1A, ADRA1D CA12 4359/4885CA1 4525/4885CA2 3603/4885

“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.