Chlorobenzene

Chlorobenzene

SCHEMBL2465840

Clc1ccccc1.OB(O)O

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.73
ORAI1 Q96D31 2/20 0.59
ORAI2 Q96SN7 2/20 0.59
ORAI3 Q9BRQ5 2/20 0.59
TRPV6 Q9H1D0 2/20 0.59
CYP1A2 P05177 1/20 0.50
ENPP2 Q13822 2/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CA4 P22748 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
PCSK9 Q8NBP7 1/20 0.45
LMNA P02545 3/20 0.44
CYP2A6 P11509 1/20 0.44
ALOX15 P16050 1/20 0.39
MAPT P10636 2/20 0.38

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 SCHEMBL1339852 0.86
Chlorobenzene SCHEMBL1331798 0.86
Chlorobenzene SCHEMBL1568605 0.86 TSHR (1.00) TSHRORAI1ORAI2ORAI3TRPV6
Chlorobenzene SCHEMBL11220629 0.86 TSHR (1.00) TSHRORAI1ORAI2ORAI3TRPV6
Chlorobenzene SCHEMBL9721018 0.86 TSHR (1.00) TSHRORAI1ORAI2ORAI3TRPV6
SCHEMBL24715429 0.86 TSHR (1.00) TSHRORAI1ORAI2ORAI3TRPV6
Chlorobenzene SCHEMBL1330702 0.86
Chlorobenzene SCHEMBL2044 0.86
Chlorobenzene SCHEMBL2168046 0.86 TSHR (1.00) TSHRORAI1ORAI2ORAI3TRPV6
Chlorobenzene SCHEMBL1330516 0.86

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
CN-113511970-B Synthesis method of aryl substituted alkyne 杭州师范大学 2024-04-09 CN claimed
CN-115651203-A Supermolecular crystal framework material based on BN coordination bond and preparation method and application thereof 浙江大学杭州国际科创中心 2023-01-31 CN claimed
CN-113511970-B Synthesis method of aryl substituted alkyne 杭州师范大学 2024-04-09 CN disclosed
CN-110291076-B Novel heterocyclic compound and organic light-emitting element using same 株式会社LG化学 2023-08-08 CN disclosed
CN-116102390-A Method for synthesizing biphenyl compounds by adopting micro-channel continuous flow reactor 西安凯立新材料股份有限公司 2023-05-12 CN disclosed
CN-115651203-A Supermolecular crystal framework material based on BN coordination bond and preparation method and application thereof 浙江大学杭州国际科创中心 2023-01-31 CN disclosed
CN-115651203-A Supermolecular crystal framework material based on BN coordination bond and preparation method and application thereof 浙江大学杭州国际科创中心 2023-01-31 CN disclosed
CN-115557883-A Synthesis process of amlodipine 常州制药厂有限公司 2023-01-03 CN disclosed
CN-103383372-B To gather lead ion sensitive membrane and the Lead Ion-selective Electrode of sulfonation amino anthraquinones as carrier TONGJI UNIVERSITY (CN) 2016-05-18 CN disclosed
CN-103339117-B 1,4 oxazines as bace1 and/or bace2 inhibitors HOFFMANN LA ROCHE 2015-05-27 CN disclosed
CN-103383372-A Lead ion-sensitive membrane with poly(sulfonated aminoanthraquinone) as carrier and lead ion-selective electrode UNIV TONGJI 2013-11-06 CN disclosed
CN-103339117-A 1,4 oxazines as bace1 and/or bace2 inhibitors HOFFMANN LA ROCHE 2013-10-02 CN disclosed
US-8481327-B2 Methods for using congeneric, chlorinated, brominated and/or iodised, fluorinated aromatic standard compounds having two benzol rings CHIRON AS (NO) 2013-07-09 US disclosed
CN-102245181-A Heterocyclic benzimidazoles as TRPM8 modulators JANSSEN PHARMACEUTICA NV 2011-11-16 CN disclosed
US-20110229973-A1 CONGENERIC, CHLORINATED, BROMINATED AND/OR IODISED, FLUORINATED AROMATIC COMPOUNDS COMPRISING TWO BENZOL RINGS IN THEIR BASIC STRUCTURE, METHOD FOR THEIR PRODUCTION AND USE THEREOF CHIRON AS (NO) 2011-09-22 US disclosed
US-20070298501-A1 Congeneric, Chlorinated, Brominated And/Or Iodised, Fluorinated Aromatic Compounds Comprising Two Benzol Rings In Their Basic Structure, Method For Their Production And Use Thereof CHIRON AS (NO) 2007-12-27 US disclosed
CN-1798740-A Nitrogen-containing heteroaryl derivatives GENELABS TECH INC (US) 2006-07-05 CN disclosed
WO-2005077868-A2 CONGENERIC, CHLORINATED, BROMINATED AND/OR IODISED, FLUORINATED AROMATIC COMPOUNDS COMPRISING TWO BENZOL RINGS IN THEIR BASIC STRUCTURE, METHOD FOR THEIR PRODUCTION AND USE THEREOF CHIRON AS (NO) 2005-08-25 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 (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-20070298501-A1 Congeneric, Chlorinated, Brominated And/Or Iodised, Fluorinated Aromatic Compounds Comprising Two Benzol Rings In Their Basic Structure, Method For Their Production And Use Thereof CBR1, CYP1A1, CYP1B1 TSHR 163/4885ORAI1 4666/4885ORAI2 1695/4885

“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.