SCHEMBL196689

SCHEMBL196689

COc1ccc(-c2ccc(OC)cc2OC)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.69
CYP1B1 Q16678 6/20 0.69
CYP1A2 P05177 4/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2E1 P05181 1/20 0.69
CYP2C8 P10632 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2A6 P11509 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP4B1 P13584 1/20 0.69
CYP2B6 P20813 1/20 0.69
CYP3A5 P20815 1/20 0.69
CYP2A7 P20853 1/20 0.69
CYP3A7 P24462 1/20 0.69
CYP2F1 P24903 1/20 0.69
CYP2C18 P33260 1/20 0.69
CYP2C19 P33261 1/20 0.69
CYP2J2 P51589 1/20 0.69
CYP4F2 P78329 1/20 0.69
CYP4F8 P98187 1/20 0.69

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
SCHEMBL29589241 1.00 CYP1A1 (0.69) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL9272421 0.89 CYP1A2 (0.63) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL17599105 0.86 CYP1A1 (0.71) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL6678654 0.84 CYP1A1 (0.58) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL26355120 0.84 CYP1A1 (0.58) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL30587172 0.84 CYP1A1 (0.58) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL10388011 0.84 CYP1A1 (0.58) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL8819682 0.84 CYP1A2 (0.58) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL5632975 0.83 CYP1A1 (0.79) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL10841554 0.83 CYP3A4 (0.56) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015178847-A1 PROCESS FOR THE PREPARATION OF CHIRAL AMINES BY ASYMMETRIC HYDROGENATION OF PROCHIRAL OXIMES SP PROCESS DEVELOPMENT AB (SE) 2015-11-26 WO claimed
WO-2015178846-A1 PROCESS FOR THE PREPARATION OF CHIRAL AMINES FROM PROCHIRAL KETONES SP PROCESS DEVELOPMENT AB (SE) 2015-11-26 WO claimed
US-3970707-A Method for preparing 3,5,3',5'-tetrabromo-2,4,2',4'-tetraoxydiphenyl SHVEDOV VASILY IVANOVICH 1976-07-20 US claimed
US-11053188-B2 Process for the preparation of enantiomerically and diastereomerically enriched cyclobutane amines and amides SYNGENTA PARTICIPATIONS AG (CH) 2021-07-06 US disclosed
US-20200407311-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY AND DIASTEREOMERICALLY ENRICHED CYCLOBUTANE AMINES AND AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2020-12-31 US disclosed
CN-111417618-A Process for preparing enantiomerically and diastereomerically enriched cyclobutaneamines and cyclobutaneamides 先正达参股股份有限公司 2020-07-14 CN disclosed
WO-2015178846-A1 PROCESS FOR THE PREPARATION OF CHIRAL AMINES FROM PROCHIRAL KETONES SP PROCESS DEVELOPMENT AB (SE) 2015-11-26 WO disclosed
WO-2015178847-A1 PROCESS FOR THE PREPARATION OF CHIRAL AMINES BY ASYMMETRIC HYDROGENATION OF PROCHIRAL OXIMES SP PROCESS DEVELOPMENT AB (SE) 2015-11-26 WO disclosed
EP-2390241-B1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-10-01 EP disclosed
US-8598349-B2 Method for manufacturing conjugated aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
US-20130184479-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-07-18 US disclosed
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 US disclosed
EP-2233459-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-09-29 EP disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
EP-2172470-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-04-07 EP disclosed
US-20070231652-A1 Polymer Electrolyte, Membrane/Electrode Assembly, and Fuel Cell FUJIFILM CORPORATION 2007-10-04 US disclosed
US-20070231652-A1 Polymer Electrolyte, Membrane/Electrode Assembly, and Fuel Cell FUJIFILM CORPORATION 2007-10-04 US disclosed
US-3970707-A Method for preparing 3,5,3',5'-tetrabromo-2,4,2',4'-tetraoxydiphenyl SHVEDOV VASILY IVANOVICH 1976-07-20 US disclosed
US-3970707-A Method for preparing 3,5,3',5'-tetrabromo-2,4,2',4'-tetraoxydiphenyl SHVEDOV VASILY IVANOVICH 1976-07-20 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 (5 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-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 CYP1A1 9/4885CYP1B1 15/4885CYP1A2 228/4885
US-20200407311-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY AND DIASTEREOMERICALLY ENRICHED CYCLOBUTANE AMINES AND AMIDES TBCB, ADORA2B, ADRA2B CYP1A1 631/4885CYP1B1 56/4885CYP1A2 127/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR CYP1A1 157/4885CYP1B1 462/4885CYP1A2 856/4885
US-20130184479-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS AGPS, COASY, BLVRB CYP1A1 242/4885CYP1B1 33/4885CYP1A2 57/4885
US-11053188-B2 Process for the preparation of enantiomerically and diastereomerically enriched cyclobutane amines and amides TBCB, ADORA2B, CCNB3 CYP1A1 669/4885CYP1B1 64/4885CYP1A2 126/4885

“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.