SCHEMBL805141

SCHEMBL805141

CCc1ccc(-c2ccccc2)o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.64
CYP2A6 P11509 2/20 0.64
CYP2E1 P05181 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2B6 P20813 1/20 0.64
HRH1 P35367 1/20 0.58
ALDH1A1 P00352 4/20 0.55
MAPT P10636 2/20 0.55
POLB P06746 1/20 0.55
PKM P14618 1/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALOX5 P09917 2/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47

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
SCHEMBL13543173 0.83 ALDH1A1 (0.61) CYP2C19CYP2A6CYP2E1CYP3A4CYP2D6
SCHEMBL19568041 0.81 ALOX5 (0.51) CYP2C19CYP2A6CYP2E1CYP3A4CYP2D6
SCHEMBL10050008 0.81 ALDH1A1 (0.57) CYP2C19CYP2A6CYP2E1CYP3A4CYP2D6
SCHEMBL28588022 0.80 ALDH1A1 (0.57) CYP2C19CYP2A6CYP2E1CYP3A4CYP2D6
SCHEMBL9970929 0.79 ALDH1A1 (0.56) CYP2C19CYP2A6CYP2E1CYP3A4CYP2D6
SCHEMBL2056342 0.79 ALDH1A1 (0.62) CYP2C19CYP2A6CYP2E1CYP3A4CYP2D6
SCHEMBL10000785 0.79 SOS1 (0.69) ALDH1A1MAPTPOLBPKMHTT
SCHEMBL13753966 0.79 MAOB (0.47) CYP2C19CYP2A6CYP2E1CYP3A4CYP2D6
SCHEMBL17214863 0.79 ALOX5 (0.50) CYP2C19CYP2A6CYP2E1CYP3A4CYP2D6
SCHEMBL14402596 0.79 ALDH1A1 (0.56) CYP2C19CYP2A6CYP2E1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
CN-112939903-B Method for preparing furan compounds from bromoaryl ketone 重庆医科大学 2023-05-26 CN disclosed
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-23 US disclosed
US-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-09-23 US disclosed
WO-2018026620-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-08 WO disclosed
US-20180022722-A1 Compounds for Stabilizing Ryanodine Receptors from Aberrant Levels of Calcium Release ROSALIND FRANKLIN UNIVERSITY OF MEDICINE AND SCIENCE 2018-01-25 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-9255088-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-09 US disclosed
US-9067951-B2 Process and intermediates for the production of CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-30 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
US-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 US disclosed
US-8119645-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
WO-2011113861-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 WO disclosed
US-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US disclosed
US-7943622-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-05-17 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-11-26 US disclosed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 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 (11 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-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR1, CCR5 CYP2C19 440/4885CYP2A6 1231/4885CYP2E1 732/4885
US-20180022722-A1 Compounds for Stabilizing Ryanodine Receptors from Aberrant Levels of Calcium Release CHERP, RYR1, RYR2 CYP2C19 4865/4885CYP2A6 4739/4885CYP2E1 4878/4885
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 CYP2C19 753/4885CYP2A6 2749/4885CYP2E1 988/4885
US-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS TLR9, TLR7, TLR8 CYP2C19 3301/4885CYP2A6 4081/4885CYP2E1 3341/4885
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof MMP8, MMP26, MMP9 CYP2C19 2699/4885CYP2A6 1728/4885CYP2E1 973/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 CYP2C19 1507/4885CYP2A6 3600/4885CYP2E1 2079/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 CYP2C19 4064/4885CYP2A6 2613/4885CYP2E1 2215/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 CYP2C19 4064/4885CYP2A6 2613/4885CYP2E1 2215/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 CYP2C19 54/4885CYP2A6 433/4885CYP2E1 68/4885
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors TLR9, TLR7, TLR8 CYP2C19 3262/4885CYP2A6 4066/4885CYP2E1 3312/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 CYP2C19 3041/4885CYP2A6 2251/4885CYP2E1 1844/4885

“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.