SCHEMBL7858626

SCHEMBL7858626

Clc1ccccc1B1OB(c2ccccc2Cl)OB(c2ccccc2Cl)O1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.36
CYP2A6 P11509 4/20 0.33
CYP1A2 P05177 3/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AHR P35869 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
PNMT P11086 1/20 0.32
IDO1 P14902 1/20 0.32
TAAR1 Q96RJ0 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
SCHEMBL7590437 0.75 TSHR (0.36) TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL29777948 0.71 TAAR1 (0.35) TSHRLMNATAAR1
SCHEMBL3790257 0.68 TSHR (0.45) TSHRLMNAALDH1A1CYP2A6CYP1A2
SCHEMBL3780980 0.68 CYP3A4 (0.45) TSHRALDH1A1CYP1A2NPC1HPGD
1,2-Dichlorobenzene SCHEMBL10593125 0.65
1,2-Dichlorobenzene SCHEMBL5190 0.65
1,2-Dichlorobenzene SCHEMBL29350623 0.65
1,2-Dichlorobenzene SCHEMBL1155123 0.65 TSHR (1.00) TSHRLMNAALDH1A1CYP2A6CYP1A2
SCHEMBL14241619 0.65 ALDH1A1 (0.43) TSHRALDH1A1CYP2A6CYP1A2TP53
SCHEMBL13062132 0.64 TSHR (0.43) TSHRALDH1A1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2730554-A1 METHOD FOR PRODUCING POLYCYCLIC AROMATIC COMPOUND SUBSTITUTED BY ARYL GROUP National University Corporation Nagoya University (JP) 2014-05-14 EP 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
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 (1 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-20140206908-A1 METHOD FOR PRODUCING POLYCYCLIC AROMATIC COMPOUND SUBSTITUTED BY ARYL GROUP PAH, DBH, AHR TSHR 1850/4885LMNA 2723/4885ALDH1A1 2144/4885

“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.