Chlorobenzene

Chlorobenzene

SCHEMBL3005502

Clc1ccccc1.O=C(O)CO

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.58
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MIF P14174 1/20 0.45
▸ AKR1B1 P15121 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NR4A1 P22736 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GSK3B P49841 1/20 0.41

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
Succinic Acid SCHEMBL27643151 0.84 TSHR (0.58) TSHRCES2CES1L3MBTL1MAPT
Chlorobenzene SCHEMBL27620795 0.83 TSHR (0.73) TSHRCES2CES1L3MBTL1MAPT
Chlorobenzene SCHEMBL2533883 0.83 TSHR (0.73) TSHRCES2CES1L3MBTL1MAPT
Chlorobenzene SCHEMBL29172530 0.83 TSHR (0.73) TSHRCES2CES1L3MBTL1MAPT
Chlorobenzene SCHEMBL27677153 0.82 TSHR (0.55) TSHRCES2CES1L3MBTL1MAPT
Chlorobenzene SCHEMBL6906848 0.82 TSHR (0.55) TSHRCES2CES1L3MBTL1MAPT
Chlorobenzene SCHEMBL27339919 0.82 TSHR (0.55) TSHRCES2CES1L3MBTL1MAPT
Chlorobenzene SCHEMBL27460518 0.82 TSHR (0.55) TSHRCES2CES1L3MBTL1MAPT
Chlorobenzene SCHEMBL28280446 0.81 TSHR (0.61) TSHRCES2CES1L3MBTL1MAPT
Chlorobenzene SCHEMBL16894006 0.80 TSHR (0.69) TSHRCES2CES1L3MBTL1MAPT

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-8981094-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2015-03-17 — — US disclosed
EP-2152270-B1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-03-04 — — EP disclosed
CN-101854907-B Cosmetic composition comprising hydroxymethionine and 3-aminopropanesulfonic acid SEDERMA SA 2014-06-18 — — CN disclosed
CN-102802601-A Cosmetic use of tyr-arg dipeptide to combat cutaneous sagging SEDERMA SA 2012-11-28 — — CN disclosed
CN-101854907-A Cosmetic composition comprising hydroxymethionine and 3-aminopropanesulfonic acid SEDERMA SA 2010-10-06 — — CN disclosed
US-20100190789-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-29 — — US disclosed
EP-2152270-A1 PIPERIDINE/PIPERAZINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2010-02-17 — — EP disclosed
WO-2008148868-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-11 — — WO disclosed
CN-1802918-A Plant growth regulation ROHM & HAAS (US) 2006-07-19 — — CN 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-20100190789-A1 PIPERIDINE/PIPERAZINE DERIVATIVES NR2C2, NR5A2, DGAT1 TSHR 2379/4885CES2 301/4885CES1 309/4885

“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.

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