SCHEMBL772484

SCHEMBL772484

COc1ccc(Br)c(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
TUBB1 Q9H4B7 4/20 0.48
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42
TUBB2B Q9BVA1 2/20 0.42
NQO2 P16083 2/20 0.42
ERN1 O75460 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL30171329 1.00 CA2 (0.50) CA2CA4TUBB1TUBB4ATUBB
SCHEMBL9376185 0.89 TUBB1 (0.50) CA2CA4TUBB1TUBB4ATUBB
SCHEMBL127769 0.87 CA2 (0.55) CA2CA4TUBB1TUBB4ATUBB
SCHEMBL30701949 0.84 CA9 (0.50) CA2CA4ACHEKDM4ECYP3A4
SCHEMBL3674074 0.84 CA9 (0.50) CA2CA4ACHEKDM4ECYP3A4
SCHEMBL9109330 0.83 TUBB1 (0.47) CA2CA4TUBB1TUBB4ATUBB
SCHEMBL1628136 0.83 CA2 (0.54) CA2CA4TUBB1NQO2ERN1
SCHEMBL14736781 0.82 TUBB1 (0.40) CA2CA4TUBB1TUBB4ATUBB
Methane SCHEMBL660326 0.82 CYP3A4 (0.40) CA2CA4TUBB1TUBB4ATUBB
SCHEMBL147312 0.81 TUBB1 (0.46) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118638107-A Preparation method of gem-diaryl spiro lactone intermediate 西南交通大学 2024-09-13 CN claimed
CN-114773303-B Preparation method of anticancer drug leader lignan Aglacin B 西南交通大学 2022-11-01 CN claimed
CN-108503623-A A kind of compound and the preparation method and application thereof inhibiting PRMT7 四川大学 2018-09-07 CN claimed
EP-0604409-B1 OLIGONUCLEOTIDE ANALOGS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS INC (US) 2004-07-14 EP 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
CN-118638107-A Preparation method of gem-diaryl spiro lactone intermediate 西南交通大学 2024-09-13 CN disclosed
US-20230192692-A1 MACROCYCLIC AND CAGE-LIKE MOLECULE BASED ON BIPHEN[n]ARENE AND DERIVATIVE, SYNTHESIS METHOD AND USE THEREOF TIANJIN NORMAL UNIVERSITY (CN) 2023-06-22 US disclosed
CN-114773303-B Preparation method of anticancer drug leader lignan Aglacin B 西南交通大学 2022-11-01 CN disclosed
CN-114773303-A Preparation method of anticancer drug leader lignan Aglacin B 西南交通大学 2022-07-22 CN disclosed
CN-106794174-B Compounds for the treatment of cancer GTX公司 2021-03-12 CN disclosed
CN-111253336-A Compounds for the treatment of cancer GTX公司 2020-06-09 CN disclosed
US-10597416-B2 Complexes JOHNSON MATTHEY PLC (GB) 2020-03-24 US disclosed
CN-1137895-A Prevention and curing agent for c attenuation living vaccine EISAI CO LTD (JP) 1996-12-18 CN disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed
US-5409930-A Inhibits abnoramal cell proliferation; dimethoxyquinoline/ dimethylquinoline/ quinolineoxide/ and quinoxaline derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-04-25 US disclosed
WO-1992020642-A1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 WO disclosed
US-5104894-A Ellagic acid analogues UNIVERSITY OF GUELPH (CA) 1992-04-14 US disclosed
US-3992536-A SEDATIVES AND MUSCLE RELAXANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-11-16 US disclosed
US-3931185-A SEDATIVES, MUSCLE RELAXANT BOEHRINGER INGELHEIM GMBH (DT) 1976-01-06 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 (2 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-10597416-B2 Complexes C5, C1S, C9 CA2 137/4885CA4 213/4885TUBB1 4532/4885
US-20230192692-A1 MACROCYCLIC AND CAGE-LIKE MOLECULE BASED ON BIPHEN[n]ARENE AND DERIVATIVE, SYNTHESIS METHOD AND USE THEREOF TPMT, NUDT1, PNP CA2 366/4885CA4 1379/4885TUBB1 3020/4885

“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.