SCHEMBL5084274

SCHEMBL5084274

COc1ccccc1C=CC(=O)c1ccccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 1.00
MAOB P27338 4/20 1.00
NR1H4 Q96RI1 3/20 0.82
BCHE P06276 2/20 0.69
GUSB P08236 1/20 0.69
MAPT P10636 4/20 0.68
KDM4E B2RXH2 3/20 0.68
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
MAPK1 P28482 1/20 0.68
ATM Q13315 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
LMNA P02545 2/20 0.66
ALDH1A1 P00352 2/20 0.64
ACHE P22303 1/20 0.64
ABCG2 Q9UNQ0 1/20 0.64
PTGS1 P23219 1/20 0.64
PTGS2 P35354 1/20 0.64
TFEB P19484 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
SCHEMBL30807180 1.00 AR (1.00) ARMAOBNR1H4BCHEGUSB
SCHEMBL5084268 1.00 AR (1.00) ARMAOBNR1H4BCHEGUSB
SCHEMBL5138170 0.90 MAOB (0.82) ARMAOBNR1H4BCHEGUSB
SCHEMBL5138171 0.90 MAOB (0.82) ARMAOBNR1H4BCHEGUSB
SCHEMBL4535102 0.89 AR (0.80) ARMAOBNR1H4BCHEMAPT
SCHEMBL5084423 0.89 MAOB (0.80) ARMAOBNR1H4BCHEGUSB
SCHEMBL5084427 0.89 MAOB (0.80) ARMAOBNR1H4BCHEGUSB
SCHEMBL4046463 0.86 NR1H4 (1.00) ARMAOBNR1H4MAPTNPC1
SCHEMBL4046466 0.86 NR1H4 (1.00) ARMAOBNR1H4MAPTNPC1
SCHEMBL31234931 0.85 MAOB (0.74) ARMAOBNR1H4BCHEGUSB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-01-10 US disclosed
WO-2017132135-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-03 WO disclosed
US-9629822-B2 Flavonoid based antiviral targets UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-04-25 US disclosed
US-20150209323-A1 FLAVONOID BASED ANTIVIRAL TARGETS UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, (US) 2015-07-30 US disclosed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 WO disclosed
US-6046231-A ADMINISTERING A SUFFICIENT AMOUNT OF A CANCER CHEMOPREVENTATIVE COMPOSITION COMPRISING 4'-BROMOFLAVONE TO A MAMMAL IN NEED TO PREVENT, DELAY OR REVERSE A CANCER SENSITIVE TO 4'-BROMOFLAVONE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2000-04-04 US disclosed
US-4571409-A ANTIARRHYTHMIA AGENTS BASF AKTIENGESELLSCHAFT (DE) 1986-02-18 US disclosed
EP-0075207-B1 AMINOPROPANOL DERIVATIVES OF 2-HYDROXY-BETA-PHENYL PROPIOPHENONES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC AGENTS CONTAINING THEM BASF Aktiengesellschaft (DE) 1986-02-05 EP disclosed
US-4540697-A ANTIARRHYTHMIA AGENTS BASF AKTIENGESELLSCHAFT (DE) 1985-09-10 US disclosed
EP-0075207-A2 Aminopropanol derivatives of 2-hydroxy-beta-phenyl propiophenones, processes for their preparation and therapeutic agents containing them BASF Aktiengesellschaft (DE) 1983-03-30 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 (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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 AR 152/4885MAOB 1213/4885NR1H4 32/4885
US-20150209323-A1 FLAVONOID BASED ANTIVIRAL TARGETS RBM28, MAVS, HAVCR2 AR 4201/4885MAOB 4153/4885NR1H4 922/4885
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF ESRRG, GPER1, ESR2 AR 143/4885MAOB 3735/4885NR1H4 46/4885

“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.