SCHEMBL7860089

SCHEMBL7860089

Clc1ccc(B2OB(c3ccc(Cl)cc3)OB(c3ccc(Cl)cc3)O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CYP2A6 P11509 1/20 0.47
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
IDO1 P14902 2/20 0.36
TSHR P16473 4/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 3/20 0.32
CYP3A4 P08684 2/20 0.32
ENPP2 Q13822 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AHR P35869 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL661288 0.72 LPL (0.59)
SCHEMBL2073992 0.72 TSHR (0.38) LMNACYP2A6CES2CES1TSHR
SCHEMBL7859911 0.71 CYP2A6 (0.47) CYP2A6CES2CES1TSHRMAPK1
SCHEMBL29592391 0.70 AHR (0.42) IDO1TSHRCYP3A4ALDH1A1HSD17B10
SCHEMBL623106 0.70 AHR (0.42) IDO1TSHRCYP3A4ALDH1A1HSD17B10
1,4-Dichlorobenzene SCHEMBL11243685 0.69
1,4-Dichlorobenzene SCHEMBL5191 0.69
1,4-Dichlorobenzene SCHEMBL10603593 0.65
1,4-Dichlorobenzene SCHEMBL5414363 0.65
1,4-Dichlorobenzene SCHEMBL6230506 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-9056822-B2 Method for producing polycyclic aromatic compound substituted by aryl group NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-06-16 US disclosed
US-9056822-B2 Method for producing polycyclic aromatic compound substituted by aryl group NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-06-16 US disclosed
US-8945820-B2 Silicon-containing resist underlayer film-forming composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-8945820-B2 Silicon-containing resist underlayer film-forming composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-20140206908-A1 METHOD FOR PRODUCING POLYCYCLIC AROMATIC COMPOUND SUBSTITUTED BY ARYL GROUP NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-24 US disclosed
US-20140206908-A1 METHOD FOR PRODUCING POLYCYCLIC AROMATIC COMPOUND SUBSTITUTED BY ARYL GROUP NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-24 US disclosed
US-20130137271-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137271-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-05-30 US disclosed
WO-2012169635-A1 METHOD FOR PRODUCING POLYCYCLIC AROMATIC COMPOUND SUBSTITUTED BY ARYL GROUP 国立大学法人名古屋大学 (JP) 2012-12-13 WO disclosed
US-20100292282-A1 SYNTHESIS AND CRYSTALLINE FORMS OF CB-1 ANTAGONIST/INVERSE AGONIST MERCK & CO., INC. 2010-11-18 US disclosed
US-20100292282-A1 SYNTHESIS AND CRYSTALLINE FORMS OF CB-1 ANTAGONIST/INVERSE AGONIST MERCK & CO., INC. 2010-11-18 US disclosed
WO-2009054923-A2 SYNTHESIS AND CRYSTALLINE FORMS OF CB-1 ANTAGONIST/INVERSE AGONIST MERCK & CO., INC. (US) 2009-04-30 WO disclosed
EP-0736509-B1 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL CO (JP) 2001-11-14 EP disclosed
US-6025531-A REACTING A PROCHIRAL KETONE WITH A MIXTURE BORON-CONTAINING COMPOUNDS HAVING A BORANE REACTION PRODUCT FROM OPTICALLY ACTIVE BETA-AMINOALCOHOL AND A BORON HYDRIDE OR A METAL BOROHYDRIDE, AND AN OPTICALLY ACTIVE OXAZABOROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-15 US disclosed
US-5801280-A Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-01 US disclosed
EP-0736509-A2 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-09 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS LMNA 4664/4885CYP2A6 4543/4885CES2 4876/4885
US-20100292282-A1 SYNTHESIS AND CRYSTALLINE FORMS OF CB-1 ANTAGONIST/INVERSE AGONIST CNR1, ARRB1, CNR2 LMNA 2364/4885CYP2A6 1664/4885CES2 1377/4885
US-20140206908-A1 METHOD FOR PRODUCING POLYCYCLIC AROMATIC COMPOUND SUBSTITUTED BY ARYL GROUP PAH, DBH, AHR LMNA 2723/4885CYP2A6 99/4885CES2 810/4885

“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.