SCHEMBL2037

SCHEMBL2037

COc1ccc([Mg]Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA12 O43570 1/20 0.58
CA14 Q9ULX7 1/20 0.58
ACHE P22303 1/20 0.48
TDP1 Q9NUW8 4/20 0.46
MAPK1 P28482 4/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
CYP3A4 P08684 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
Bromide SCHEMBL6141762 0.97 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL11536088 0.78 CA1 (0.65) CA1CA2CA7CA9CA12
1,4-Dimethoxybenzene SCHEMBL8489 0.76 CA1 (1.00) CA1CA2CA7CA9CA12
1,4-Dimethoxybenzene SCHEMBL21802643 0.76 CA1 (1.00) CA1CA2CA7CA9CA12
Lithium SCHEMBL2300586 0.76 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL2885053 0.74 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL559995 0.74 ALDH1A1 (0.58) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL21825862 0.74 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL109480 0.74 CA1 (0.58) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL15105231 0.74 CA1 (0.58) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118754917-B Alpha-diimine ligand compound, nickel complex, composite complex, preparation method and application thereof 安徽中科科乐化工科技有限责任公司 2025-01-17 CN claimed
CN-118754917-A Alpha-diimine ligand compound, nickel complex, composite complex, preparation method and application thereof 安徽中科科乐化工科技有限责任公司 2024-10-11 CN claimed
CN-108178724-A The preparation method of compound 四川大学 2018-06-19 CN claimed
CN-106397320-A A synthetic method of a hexahydro cis dimethyl bridged-ring compound 和鼎(南京)医药技术有限公司 2017-02-15 CN claimed
CN-1289190-C Process for preparing aryl compounds BAYER AG (DE) 2006-12-13 CN claimed
CN-1466487-A Process for preparing aryl compounds 2004-01-07 CN claimed
EP-1324964-A2 METHOD FOR PRODUCING ARYL COMPOUNDS Bayer Aktiengesellschaft (DE) 2003-07-09 EP claimed
US-20020077250-A1 Process for preparing aryl compounds BAYER AKTIENGESELLSCHAFT (DE) 2002-06-20 US claimed
WO-2002026665-A2 METHOD FOR PRODUCING ARYL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2002-04-04 WO claimed
CN-116535446-B C (C)2Symmetrical chiral diphosphine ligand and application thereof in asymmetric hydrogenation reaction 凯特立斯(深圳)科技有限公司 2025-06-03 CN disclosed
CN-116554087-B Method for synthesizing carbazole compounds by photoinduction 陕西师范大学 2025-05-13 CN disclosed
CN-118754917-B Alpha-diimine ligand compound, nickel complex, composite complex, preparation method and application thereof 安徽中科科乐化工科技有限责任公司 2025-01-17 CN disclosed
CN-113999232-B MAT2A inhibitors 南京正大天晴制药有限公司 2025-01-07 CN disclosed
CN-118754917-A Alpha-diimine ligand compound, nickel complex, composite complex, preparation method and application thereof 安徽中科科乐化工科技有限责任公司 2024-10-11 CN disclosed
US-5098908-A 17β-hydroxybenzoyl-4-aza-5α-androst-1-en-3-ones as testosterone reductase inhibitors MERCK & CO., INC. (US) 1992-03-24 US disclosed
EP-0465142-A1 17Beta-acyl-3-carboxy-androsta-3, 5-dienes as testosterone 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1992-01-08 EP disclosed
EP-0465123-A2 New intermediates in the synthesis of 17beta-acyl-3-carboxy-androsta-3,5-dienes MERCK & CO. INC. (US) 1992-01-08 EP disclosed
EP-0462661-A2 Novel 17beta-hydroxybenzoyl-4-aza-5alpha-androst-1-en-3-ones as testosterone reductase inhibitors MERCK & CO. INC. (US) 1991-12-27 EP disclosed
US-5075450-A Intermediates in the synthesis of 17β-acyl-3-carboxy-androsta-3,5-dienes MERCK & CO., INC. (US) 1991-12-24 US disclosed
US-3961066-A ANALGESICS, ANTITUSSIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-06-01 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-20020077250-A1 Process for preparing aryl compounds TYR, ABL1, AHR CA1 4056/4885CA2 2736/4885CA7 1772/4885

“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.