SCHEMBL467216

SCHEMBL467216

COc1ccc(C[Mg]Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
IDO1 P14902 3/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAOB P27338 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
CMA1 P23946 1/20 0.48
AGXT P21549 2/20 0.48
LTA4H P09960 1/20 0.48
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47

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
Water SCHEMBL10445073 0.98 TAAR1 (0.52) TAAR1IDO1CA12CA1CA2
SCHEMBL11536085 0.81 IDO1 (0.56) TAAR1IDO1CA12CA1CA2
SCHEMBL1797282 0.78 TAAR1 (0.61) TAAR1IDO1CA12CA1CA2
SCHEMBL363725 0.77 IDO1 (0.52) TAAR1IDO1CA12CA1CA2
SCHEMBL5254359 0.77 IDO1 (0.52) TAAR1IDO1CA12CA1CA2
SCHEMBL2390804 0.77 ALDH1A1 (0.50) TAAR1ALDH1A1TSHRCALM1
Bromide SCHEMBL10874061 0.76 IDO1 (0.50) TAAR1IDO1CA12CA1CA2
SCHEMBL227516 0.75 TAAR1 (0.59) TAAR1IDO1MAOBALDH1A1CMA1
SCHEMBL558967 0.73 TAAR1 (0.48) TAAR1IDO1CA2ALDH1A1TP53
SCHEMBL560202 0.73 CYP1A2 (0.48) TAAR1IDO1ALDH1A1MAPTAGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO claimed
CN-112047919-A Ticagrelor intermediate and preparation method thereof 常州制药厂有限公司 2020-12-08 CN claimed
CN-100548950-C Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2009-10-14 CN claimed
US-7273948-B2 Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS, INC. (US) 2007-09-25 US claimed
EP-1594824-A4 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS INC (US) 2007-04-04 EP claimed
CN-1759084-A Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2006-04-12 CN claimed
EP-1594824-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF Atherogenics, Inc. (US) 2005-11-16 EP claimed
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof CRABTREE ACQUISITION CO, LLC 2004-10-14 US claimed
WO-2004062622-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS, INC. (US) 2004-07-29 WO claimed
US-20260042736-A1 COMPOSITIONS AND METHODS FOR MAKING SCYTONEMIN AND ITS ANALOGS AND DERIVATIVES Board of Regents of Nevada System of Higher Education on behalf of the University of Nevada Reno (US) 2026-02-12 US disclosed
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
CN-116102407-B Method for preparing gastrodia elata extract 2, 4-bis (4-hydroxybenzyl) phenol 北京化工大学 2024-07-23 CN disclosed
CN-112789108-B Catalyst for asymmetric hydrogenation of compounds containing carbon double bonds 格拉斯如睦株式会社 2023-09-19 CN disclosed
EP-0005980-A2 Derivatives of substituted N-alkyl imidazoles, their preparation and these compounds for pharmaceutical use SYNTEX (U.S.A.) INC. (US) 1979-12-12 EP disclosed
US-4105659-A ANTAGONISTS, ANALGESICS STERLING DRUG INC. (US) 1978-08-08 US disclosed
US-4070360-A ANALGESICS MERCK & CO., INC. (US) 1978-01-24 US disclosed
US-4070359-A ISOMERIZATION, CYCLIZATION, ANALGESICS MERCK & CO., INC. (US) 1978-01-24 US disclosed
US-4033968-A ANALGESICS MERCK & CO., INC. (US) 1977-07-05 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 (3 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 TAAR1 319/4885IDO1 1289/4885CA12 4586/4885
US-20260042736-A1 COMPOSITIONS AND METHODS FOR MAKING SCYTONEMIN AND ITS ANALOGS AND DERIVATIVES TDO2, SCO2, TPH1 TAAR1 1868/4885IDO1 8/4885CA12 2255/4885
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof NR3C2, MGLL, GCG TAAR1 3193/4885IDO1 4697/4885CA12 2274/4885

“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.