SCHEMBL721838

SCHEMBL721838

COc1cc([Mg]Br)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
ACHE P22303 1/20 0.52
CA9 Q16790 1/20 0.50
PTGS2 P35354 1/20 0.46
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
TUBB1 Q9H4B7 5/20 0.41
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41
TUBA1B P68363 3/20 0.41
TUBA4A P68366 3/20 0.41
TUBB4B P68371 3/20 0.41
TUBB3 Q13509 3/20 0.41
TUBB2A Q13885 3/20 0.41
TUBB8 Q3ZCM7 3/20 0.41
TUBA3E Q6PEY2 3/20 0.41
TUBA1A Q71U36 3/20 0.41

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
SCHEMBL3140089 0.76 ALDH1A1 (0.36) CYP3A4MAPTACHECA9ALDH1A1
SCHEMBL4184604 0.74 TUBB1 (0.36) CYP3A4MAPTACHETUBB1
SCHEMBL1021384 0.74 CA2 (0.48) CYP3A4ACHECA9PTGS2TUBB1
SCHEMBL429756 0.72 ACHE (0.59) CYP3A4MAPTACHECA9PTGS2
Antiarol SCHEMBL210578 0.72 CYP3A4 (1.00) CYP3A4MAPTACHECA9PTGS2
SCHEMBL28996996 0.71 ACHE (0.35) CYP3A4MAPTACHECA9TUBB1
SCHEMBL721861 0.71 ACHE (0.65) CYP3A4MAPTACHECA9PTGS2
SCHEMBL6947358 0.70 ACHE (0.56) CYP3A4MAPTACHECA9PTGS2
SCHEMBL3000499 0.70 ALDH1A1 (0.58) CYP3A4CA9PTGS2TUBB1TUBB4A
SCHEMBL1337032 0.70 ACHE (0.56) CYP3A4MAPTACHECA9PTGS2

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 82 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-106380790-A Liquid crystal polyester molding composition and application thereof 金发科技股份有限公司 2017-02-08 CN claimed
EP-1121338-A4 METHOD FOR SYNTHESIZING DIARYL-SUBSTITUTED HETEROCYCLIC COMPOUNDS, INCLUDING TETRAHYDROFURANS MILLENNIUM PHARM INC (US) 2003-03-12 EP claimed
US-20020128491-A1 Method for synthesizing diaryl-substituted heterocyclic compounds, including tetrahydrofurans RAO ALLA VENKATA RAMA (IN) 2002-09-12 US claimed
EP-1121338-A1 METHOD FOR SYNTHESIZING DIARYL-SUBSTITUTED HETEROCYCLIC COMPOUNDS, INCLUDING TETRAHYDROFURANS Millennium Pharmaceuticals, Inc. (US) 2001-08-08 EP claimed
WO-2000023409-A1 METHOD FOR SYNTHESIZING DIARYL-SUBSTITUTED HETEROCYCLIC COMPOUNDS, INCLUDING TETRAHYDROFURANS LEUKOSITE, INC. (US) 2000-04-27 WO claimed
US-20260007640-A1 COMPOSITIONS FOR THE TREATMENT OF INFLAMMATORY DISORDERS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2026-01-08 US disclosed
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO disclosed
US-20250188072-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2025-06-12 US disclosed
US-12187720-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2025-01-07 US 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
US-11465987-B2 Compounds for treatment of cancer Oncternal Therapeutics, Inc. (US) 2022-10-11 US disclosed
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 US disclosed
US-5292946-A Reducing agent MERCK & CO., INC. (US) 1994-03-08 US disclosed
EP-0574510-A1 NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS CENTER FOR INNOVATIVE TECHNOLOGY (US) 1993-12-22 EP disclosed
WO-1992015294-A1 NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS CENTER FOR INNOVATIVE TECHNOLOGY (US) 1992-09-17 WO disclosed
EP-0478062-A1 In-situ preparation of diisopinocampheyl chloroborane MERCK & CO. INC. (US) 1992-04-01 EP disclosed
EP-0478063-A1 Method of making optically active alcohols MERCK & CO. INC. (US) 1992-04-01 EP disclosed
US-5099033-A Condensation of bromine compound with organometallic compound to form platelet activating factor antagonist, anticoagulants, hypotensives, antiinflammatory agents and cardiovascular disorders MERCK & CO., INC. (US) 1992-03-24 US disclosed
EP-0465122-A1 Process of making 2,5-diaryl tetrahydrofurans and analogs thereof useful as paf antagonists MERCK & CO. INC. (US) 1992-01-08 EP 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 (7 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-12187720-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 CYP3A4 4225/4885MAPT 2614/4885ACHE 3555/4885
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 CYP3A4 256/4885MAPT 4544/4885ACHE 4515/4885
US-20260007640-A1 COMPOSITIONS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MYD88, TLR9, TLR5 CYP3A4 1665/4885MAPT 3863/4885ACHE 2096/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 CYP3A4 4225/4885MAPT 2614/4885ACHE 3555/4885
US-20250188072-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 CYP3A4 4225/4885MAPT 2614/4885ACHE 3555/4885
US-20020128491-A1 Method for synthesizing diaryl-substituted heterocyclic compounds, including tetrahydrofurans TPMT, TPI1, GTF2I CYP3A4 291/4885MAPT 1577/4885ACHE 2623/4885
US-11465987-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 CYP3A4 4225/4885MAPT 2614/4885ACHE 3555/4885

“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.