Chlorobenzene

Chlorobenzene

SCHEMBL16616568

CCOC(C)=O.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
LMNA P02545 2/20 0.56
HSD17B10 Q99714 1/20 0.56
TSHR P16473 3/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP19A1 P11511 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ABCB11 O95342 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR2A P28223 1/20 0.45
PMP22 Q01453 1/20 0.45
PPARA Q07869 1/20 0.45
GAA P10253 2/20 0.44
PIN1 Q13526 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ELANE P08246 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43

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
Chlorobenzene SCHEMBL15562499 1.00 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10TSHRMEN1
Chlorobenzene SCHEMBL18834102 1.00 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10TSHRMEN1
1,4-Dichlorobenzene SCHEMBL28155008 0.90 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRMEN1
1,2-Dichlorobenzene SCHEMBL9713897 0.86 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10TSHRMEN1
Acetic Acid Propyl Ester SCHEMBL27591820 0.85 LMNA (0.55) ALDH1A1LMNATSHRSMN1; SMN2GAA
Toluene SCHEMBL2479008 0.83 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL6453722 0.83 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL14353557 0.83 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL9305273 0.83 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL21490912 0.83 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107266481-B Material for organic electroluminescent element, display device, and lighting device 捷恩智株式会社 2020-04-14 CN disclosed
US-20190214575-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2019-07-11 US disclosed
US-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2018-02-15 US disclosed
EP-2897184-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC Corporation (JP) 2015-07-22 EP disclosed
CN-104641483-A Material for organic electroluminescent element, display device, and lighting device JNC CORP 2015-05-20 CN disclosed
US-20150097162-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2015-04-09 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 (2 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-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE L1CAM, VDAC1, VDAC2 ALDH1A1 2463/4885LMNA 2374/4885HSD17B10 4406/4885
US-20190214575-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE L1CAM, VDAC1, VDAC2 ALDH1A1 2463/4885LMNA 2374/4885HSD17B10 4406/4885

“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.