SCHEMBL2744101

SCHEMBL2744101

COc1ccc(C=CC(=O)C=Cc2ccc(OC)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 3/20 1.00
GSK3B P49841 2/20 0.77
BACE1 P56817 1/20 0.77
THRB P10828 1/20 0.75
ATM Q13315 1/20 0.75
STAT3 P40763 1/20 0.73
HDAC3 O15379 2/20 0.70
HDAC1 Q13547 2/20 0.70
HDAC2 Q92769 2/20 0.70
HDAC8 Q9BY41 2/20 0.70
HDAC6 Q9UBN7 2/20 0.70
CAPN1 P07384 1/20 0.65
CTSB P07858 1/20 0.65
HDAC4 P56524 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
BCHE P06276 1/20 0.64

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
SCHEMBL2744098 1.00 F3 (1.00) F3GSK3BBACE1THRBATM
SCHEMBL14331811 1.00 F3 (1.00) F3GSK3BBACE1THRBATM
SCHEMBL17837284 0.98 F3 (0.96) F3GSK3BBACE1THRBATM
SCHEMBL28609815 0.93 F3 (0.86) F3GSK3BBACE1THRBATM
SCHEMBL5599044 0.93 F3 (0.86) F3GSK3BBACE1THRBATM
SCHEMBL5599042 0.93 F3 (0.86) F3GSK3BBACE1THRBATM
SCHEMBL11999799 0.93 F3 (0.86) F3GSK3BBACE1THRBATM
SCHEMBL10467112 0.91 F3 (0.83) F3GSK3BBACE1THRBATM
SCHEMBL10467108 0.91 F3 (0.83) F3GSK3BBACE1THRBATM
SCHEMBL10467105 0.91 F3 (0.83) F3GSK3BBACE1THRBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390585-B2 Quaternary heteroatom containing compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-07-19 US claimed
US-20100152493-A1 BIS(ARYLMETHYLIDENE)ACETONE COMPOUND, ANTI-CANCER AGENT, CARCINOGENESIS-PREVENTIVE AGENT, INHIBITOR OF EXPRESSION OF Ki-Ras, ErbB2, c-Myc AND CYCLINE D1, BETA-CATENIN-DEGRADING AGENT, AND p53 EXPRESSION ENHANCER SHIBATA, HIROYUKI (JP) 2010-06-17 US claimed
EP-0302832-B1 THERMOSET COMPOSITIONS CONTAINING UNSATURATED IMIDES AND DERIVATIVES OF BENZALDEHYDE CIBA-GEIGY AG (CH) 1993-01-20 EP claimed
US-4935478-A Unsaturated imide and benzaldehyde derivative containing hot-curable composition of matter CIBA-GEIGY CORPORATION (US) 1990-06-19 US claimed
EP-0302832-A2 Thermoset compositions containing unsaturated imides and derivatives of benzaldehyde CIBA-GEIGY AG (CH) 1989-02-08 EP claimed
EP-4731635-A1 CHIRAL IRIDIUM HYDRIDE CATALYSTS FOR ENANTIOSELECTIVE HYDROGENATION OF 4-SUBSTITUTED 1,2- DIHYDROQUINOLINES Bayer Aktiengesellschaft (DE) 2026-04-29 EP disclosed
WO-2024261094-A1 CHIRAL IRIDIUM HYDRIDE CATALYSTS FOR ENANTIOSELECTIVE HYDROGENATION OF 4-SUBSTITUTED 1,2- DIHYDROQUINOLINES BAYER AKTIENGESELLSCHAFT (DE) 2024-12-26 WO disclosed
WO-2024060641-A1 CYCLOTRIARYLPHOSPHINE, METHOD FOR PREPARING SAME, AND USE THEREOF 东莞市均成高新材料有限公司 2024-03-28 WO disclosed
US-20230098847-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2023-03-30 US disclosed
CN-115850329-A Cycloterpyriaryl phosphines, their preparation and use 东莞市均成高新材料有限公司 2023-03-28 CN disclosed
US-11390585-B2 Quaternary heteroatom containing compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-07-19 US disclosed
US-20220213081-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-07-07 US disclosed
US-4935478-A Unsaturated imide and benzaldehyde derivative containing hot-curable composition of matter CIBA-GEIGY CORPORATION (US) 1990-06-19 US disclosed
EP-0302832-A2 Thermoset compositions containing unsaturated imides and derivatives of benzaldehyde CIBA-GEIGY AG (CH) 1989-02-08 EP disclosed
EP-0160783-B1 PROCESS FOR ENCAPSULATING AGENTS EXHIBITING A COLOUR ON REACTION, SAID CAPSULES AND THEIR USE IN COLOUR RECORDING SHEETS Papierfabrik August Koehler AG (DE) 1988-06-15 EP disclosed
EP-0160783-A1 Process for encapsulating agents exhibiting a colour on reaction, said capsules and their use in colour recording sheets Papierfabrik August Koehler AG (DE) 1985-11-13 EP disclosed
US-4552876-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS USV PHARMACEUTICAL CORP. (US) 1985-11-12 US disclosed
US-4349553-A Spiro-cyclopropyl amidinohydrazones, and use as insect and fire ant control agents AMERICAN CYANAMID COMPANY (US) 1982-09-14 US disclosed
US-4347232-A Preparation of hydrogen peroxide from its elements FMC CORPORATION (US) 1982-08-31 US disclosed
US-RE29358-E ANTI-MALARIA AND ANTI-TUBERCULOSIS AGENTS AMERICAN CYANAMID COMPANY (US) 1977-08-16 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 (4 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-20100152493-A1 BIS(ARYLMETHYLIDENE)ACETONE COMPOUND, ANTI-CANCER AGENT, CARCINOGENESIS-PREVENTIVE AGENT, INHIBITOR OF EXPRESSION OF Ki-Ras, ErbB2, c-Myc AND CYCLINE D1, BETA-CATENIN-DEGRADING AGENT, AND p53 EXPRESSION ENHANCER MYC, CCNE2, CCNE1 F3 3373/4885GSK3B 1233/4885BACE1 671/4885
US-20220213081-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME GMNN, GRIA1, GRIA2 F3 4303/4885GSK3B 3139/4885BACE1 129/4885
US-11390585-B2 Quaternary heteroatom containing compounds SDHA, NQO1, SDHB F3 1013/4885GSK3B 1735/4885BACE1 1673/4885
US-20230098847-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS SDHA, NQO1, SDHB F3 1013/4885GSK3B 1735/4885BACE1 1673/4885

“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.