SCHEMBL56900

SCHEMBL56900

COc1ccc(F)cc1OBOc1cc(F)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.47
PTGS1 P23219 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ACHE P22303 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
AHR P35869 1/20 0.40

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
SCHEMBL2655152 0.92 NFE2L2 (0.47) NFE2L2PTGS1CA12CA1CA2
SCHEMBL166380 0.84 NFE2L2 (0.61) NFE2L2PTGS1CA12CA1CA2
SCHEMBL18472613 0.84 NFE2L2 (0.61) NFE2L2PTGS1CA12CA1CA2
SCHEMBL16437067 0.84 FFAR1 (0.46) NFE2L2PTGS1CA12CA1CA2
SCHEMBL28299621 0.82 NFE2L2 (0.59) NFE2L2PTGS1CA12CA1CA2
SCHEMBL4018504 0.79 L3MBTL1 (0.46) KDM4ECYP1A2CYP2C19TSHR
SCHEMBL14237418 0.79 KCNH2 (0.40) ACHEHTR2ASLC6A4
SCHEMBL337814 0.77 FFAR1 (0.40) PTGS1FFAR1FFAR4ACHEHTR2A
SCHEMBL4332893 0.77 NFE2L2 (0.48) NFE2L2PTGS1CA12CA1CA2
SCHEMBL593480 0.77 SLC6A4 (0.39) PTGS1ACHECYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291502-B2 Topoisomerase II-alpha inhibitors and methods of treating cancer using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2025-05-06 US disclosed
US-20230105776-A1 Topoisomerase II-alpha Inhibitors and Methods of Treating Cancer Using the Same UNITED STATES GOVERNMENT 2023-04-06 US disclosed
WO-2020205991-A1 TOPOISOMERASE II-alpha INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-10-08 WO disclosed
US-10000449-B2 Bisarylsulfonamides useful in the treatment of inflammation and cancer KANCERA AB (SE) 2018-06-19 US disclosed
EP-2834243-B1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2018-04-25 EP disclosed
US-9796708-B2 Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-10-24 US disclosed
EP-2794009-B1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2017-08-30 EP disclosed
US-9718809-B2 Bisarylsulfonamides useful in the treatment of inflammation and cancer KANCERA AB (SE) 2017-08-01 US disclosed
US-20170129896-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXION PHARMACEUTICALS INC (US) 2017-05-11 US disclosed
US-9573943-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2017-02-21 US disclosed
EP-1569912-A2 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-09-07 EP disclosed
WO-2005028452-A9 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2005-07-21 WO disclosed
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. PFIZER INC. 2005-05-19 US disclosed
WO-2005028452-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2005-03-31 WO disclosed
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
US-6825208-B2 SELECTIVE INHIBITORS OF SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR VIIA; MODULATION OF THE COAGULATION CASCADE. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-30 US disclosed
WO-2004050637-A2 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
US-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-12-04 US disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO 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 (6 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-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents TFPI, TFPI2, SERPINC1 NFE2L2 1651/4885PTGS1 629/4885CA12 3465/4885
US-20230105776-A1 Topoisomerase II-alpha Inhibitors and Methods of Treating Cancer Using the Same TOP2A, TOP1, TOP2B NFE2L2 1590/4885PTGS1 157/4885CA12 586/4885
US-12291502-B2 Topoisomerase II-alpha inhibitors and methods of treating cancer using the same TOP2A, TOP1, TOP2B NFE2L2 1590/4885PTGS1 157/4885CA12 586/4885
US-10000449-B2 Bisarylsulfonamides useful in the treatment of inflammation and cancer NFKBIA, IL6, LITAF NFE2L2 88/4885PTGS1 64/4885CA12 4146/4885
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. OXTR, OPRL1, NPY4R NFE2L2 3710/4885PTGS1 711/4885CA12 4873/4885
US-20170129896-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TPX2, MAP3K1, IRAK1 NFE2L2 1463/4885PTGS1 2725/4885CA12 4878/4885

“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.