Chlorobenzene

Chlorobenzene

SCHEMBL8020577

CCCCO.Clc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.42
PCSK9 Q8NBP7 1/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS2 P35354 1/20 0.39
NAAA Q02083 1/20 0.39
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP1A2 P05177 1/20 0.37

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 SCHEMBL28264407 0.98 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2PCSK9LMNA
Chlorobenzene SCHEMBL14685846 0.93 SMN1; SMN2 (0.52) ALDH1A1TSHRSMN1; SMN2PCSK9LMNA
Octanol SCHEMBL6839224 0.91 LMNA (0.54) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
1-Hexanol SCHEMBL5309008 0.91 LMNA (0.54) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Chlorobenzene SCHEMBL27498314 0.88 TSHR (0.58) ALDH1A1TSHRSMN1; SMN2PCSK9LMNA
Butyl Alcohol SCHEMBL29263453 0.88 CYP1A2 (0.58) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
Chlorobenzene SCHEMBL2952823 0.85 TSHR (0.61) ALDH1A1TSHRSMN1; SMN2PCSK9NAAA
Chlorobenzene SCHEMBL19332300 0.85 TSHR (0.61) TSHRSMN1; SMN2PCSK9LMNAKMT2A
1,2-Dichlorobenzene SCHEMBL28051530 0.84 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2PCSK9LMNA
Heptane SCHEMBL4829326 0.83 TSHR (0.58) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230403927-A1 AROMATIC COMPOUNDS UDC IRELAND LTD (IE) 2023-12-14 US disclosed
US-11800787-B2 Metal complexes UDC IRELAND LIMITED (IE) 2023-10-24 US disclosed
CN-106459141-B Support for affinity chromatography JSR株式会社 2019-09-13 CN disclosed
US-20170141329-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-05-18 US disclosed
CN-106459141-A Support for affinity chromatography JSR株式会社 2017-02-22 CN disclosed
CN-105992949-A Solid-phase carrier, production method for solid-phase carrier, carrier for affinity refining, production method for filler for affinity chromatography, filler for affinity chromatography, chromatography column, and refining method JSR株式会社 2016-10-05 CN disclosed
EP-0808796-B1 Process for the preparation of hydrogen peroxide ENICHEM SPA (IT) 2000-02-09 EP disclosed
US-5783164-A PALLADIUM CATALYST WITH A NITROGENATED LIGAND STABLE TO OXIDATION ENICHEM S.P.A. (IT) 1998-07-21 US disclosed
EP-0808796-A1 Process for the preparation of hydrogen peroxide ENICHEM S.p.A. (IT) 1997-11-26 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-20230403927-A1 AROMATIC COMPOUNDS TYR, CTCF, MITF ALDH1A1 1461/4885TSHR 4417/4885SMN1; SMN2 4401/4885
US-20170141329-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 ALDH1A1 3771/4885TSHR 4518/4885SMN1; SMN2 3925/4885
US-11800787-B2 Metal complexes AP1M1, SOD1, AP3M1 ALDH1A1 3771/4885TSHR 4518/4885SMN1; SMN2 3925/4885

“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.