SCHEMBL722969

SCHEMBL722969

COc1cc(CBr)cc(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.67
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
HTR2B P41595 1/20 0.59
ACHE P22303 1/20 0.54
TUBB4A P04350 3/20 0.53
TUBB P07437 3/20 0.53
TUBA3C P0DPH7 3/20 0.53
TUBA1B P68363 3/20 0.53
TUBA4A P68366 3/20 0.53
TUBB4B P68371 3/20 0.53
TUBB3 Q13509 3/20 0.53
TUBB2A Q13885 3/20 0.53
TUBB8 Q3ZCM7 3/20 0.53
TUBA3E Q6PEY2 3/20 0.53
TUBA1A Q71U36 3/20 0.53
TUBA1C Q9BQE3 3/20 0.53
TUBB6 Q9BUF5 3/20 0.53
TUBB2B Q9BVA1 3/20 0.53
TUBB1 Q9H4B7 3/20 0.53

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
Phosphine SCHEMBL9707943 0.98 PTGS2 (0.64) PTGS2HTR2AHTR2CHTR2BACHE
SCHEMBL15271424 0.85 PTGS2 (0.50) PTGS2HTR2AHTR2CHTR2BACHE
SCHEMBL3127096 0.84 HTR2A (0.64) PTGS2HTR2AHTR2CHTR2BACHE
SCHEMBL4464142 0.82 HTR2A (0.75) PTGS2HTR2AHTR2CHTR2BACHE
SCHEMBL8910416 0.82 PTGS2 (0.70) PTGS2HTR2AHTR2CHTR2BACHE
SCHEMBL9085046 0.82 PTGS2 (0.47) PTGS2HTR2AHTR2CHTR2BACHE
SCHEMBL21980854 0.82 PTGS2 (0.47) PTGS2HTR2AHTR2CHTR2BTUBB4A
SCHEMBL6780613 0.81 HTR2A (0.60) PTGS2HTR2AHTR2CHTR2BACHE
SCHEMBL8067442 0.80 TUBB4A (0.54) PTGS2HTR2ATUBB4ATUBBTUBA3C
Bromide SCHEMBL28463593 0.80 PTGS2 (0.46) PTGS2HTR2AHTR2CHTR2BTUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112794837-B Synthesis method of heterochroman compound 云南大学 2023-05-23 CN claimed
CN-112851619-B Synthesis method of selenium-containing heterochroman compound 云南大学 2023-05-09 CN claimed
CN-107311846-B Gem difluoroethyl substituted stilbene and diphenylethane derivatives, and preparation method and application thereof 上海华理生物医药股份有限公司 2022-05-13 CN claimed
CN-112851619-A Synthetic method of selenium-containing isochroman compound 云南大学 2021-05-28 CN claimed
CN-112851624-A Synthetic method of 2-benzoxazepine compound 云南大学 2021-05-28 CN claimed
CN-112794837-A Synthesis method of isochroman compound 云南大学 2021-05-14 CN claimed
CN-112538025-A Preparation method of fluorine-containing compound for hydrophobic surface treatment agent 湖北福力德鞋业有限责任公司 2021-03-23 CN claimed
US-6743937-B2 WATER SOLUBILITY; ANGIOGENESIS INHIBITOR, ANTICANCER AGENTS OXIGENE, INC. 2004-06-01 US claimed
US-20020119951-A1 Efficient method of synthesizing combretastatin A-4 prodrugs MATEON THERAPEUTICS, INC. 2002-08-29 US claimed
WO-2002006279-A1 EFFICIENT METHOD OF SYNTHESIZING COMBRETASTATIN A-4 PRODRUGS OXIGENE INC (US) 2002-01-24 WO claimed
WO-1992016486-A1 SUBSTITUTED DIPHENYLETHYLENES AND ANALOGUES OR DERIVATIVES THEREOF ASTON MOLECULES LIMITED (GB) 1992-10-01 WO claimed
US-20260109674-A1 ALLOSTERIC MODULATION OF MUSCARINIC ACETYLCHOLINE RECEPTOR EFFICACY THE UNIVERSITY OF TOLEDO (US) 2026-04-23 US disclosed
EP-4153565-B1 BENZYLPYRIDINIUM REAGENT FOR MASS SPECTROMETRY HOFFMANN LA ROCHE (CH) 2026-02-18 EP disclosed
US-12424426-B2 Benzylpyridinium reagent for mass spectrometry ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2025-09-23 US disclosed
US-20250188072-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2025-06-12 US disclosed
EP-0253084-A2 1,3-Disubstituted imidazolium salts F. HOFFMANN-LA ROCHE AG (CH) 1988-01-20 EP disclosed
US-4335052-A OXIDATION OF CORRESPONDING BENZYL HALIDE WITH TERITARY AMINE OXIDEIN PRESENCE OF WATER DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed
US-4059593-A Synthesis of steganacin and derivatives thereof UNIVERSITY OF ROCHESTER (US) 1977-11-22 US disclosed
US-4003916-A ANTI-LEUKEMIC AGENTS; DIBENZO-CYCLOOCTADIENE LIGNIN LACTONES; SAPONIFICATION KENDE ANDREW S 1977-01-18 US disclosed
US-3957790-A VASODILATORS TOKYO TANABE COMPANY, LTD. (JA) 1976-05-18 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-20020119951-A1 Efficient method of synthesizing combretastatin A-4 prodrugs CA4, CA6, SLC5A6 PTGS2 2473/4885HTR2A 2948/4885HTR2C 4093/4885
US-20260109674-A1 ALLOSTERIC MODULATION OF MUSCARINIC ACETYLCHOLINE RECEPTOR EFFICACY CHRM5, CHRM3, CHRNA3 PTGS2 4509/4885HTR2A 66/4885HTR2C 32/4885
US-20250188072-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 PTGS2 1385/4885HTR2A 4734/4885HTR2C 4556/4885

“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.