SCHEMBL3204956

SCHEMBL3204956

COC(=O)C(Cl)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
ALDH1A1 P00352 2/20 0.51
THRB P10828 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48

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
Ammonia Solution, Strong SCHEMBL20513680 0.98 ATM (0.51) ATMCYP2C9CYP2C19ALDH1A1THRB
Methylene Chloride SCHEMBL29038775 0.96 ATM (0.50) ATMCYP2C9CYP2C19ALDH1A1THRB
SCHEMBL4393180 0.87 LTA4H (0.67) NPC1RAB9AMMP8LAP3
SCHEMBL10776860 0.85 CYP1A2 (0.49) ATMCYP2C9CYP2C19ALDH1A1THRB
SCHEMBL3248350 0.84 L3MBTL1 (0.49) ATMALDH1A1KMT2AMEN1NPC1
SCHEMBL4816689 0.84 ESR1 (0.63) KMT2ANPC1RAB9AMIF
SCHEMBL163965 0.84 NOS2 (0.47) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL1597773 0.84 MMP8 (0.58) ALDH1A1HSD17B10KMT2AMEN1POLB
SCHEMBL31408748 0.84 TSHR (0.56) CYP2C9CYP2C19ALDH1A1THRBHSD17B10
SCHEMBL977403 0.84 ESR1 (0.46) ATMCYP2C9CYP2C19ALDH1A1THRB

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116284530-B Preparation method and application of butyl rubber 山东京博中聚新材料有限公司 2024-06-07 CN claimed
CN-116284530-A Preparation method and application of butyl rubber 山东京博中聚新材料有限公司 2023-06-23 CN claimed
CN-116284530-B Preparation method and application of butyl rubber 山东京博中聚新材料有限公司 2024-06-07 CN disclosed
CN-116284530-A Preparation method and application of butyl rubber 山东京博中聚新材料有限公司 2023-06-23 CN disclosed
CN-108601837-A extended release fragrance composition 雅芳产品公司 2018-09-28 CN disclosed
CN-1820030-B Process for the production of living radical polymers and polymers OTSUKA CHEMICAL CO LTD 2010-10-06 CN disclosed
CN-101801194-A Has 5-HT 63 ' the compound that replaces of receptor affinity MEMORY PHARM CORP 2010-08-11 CN disclosed
EP-2184990-A2 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2010-05-19 EP disclosed
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US disclosed
US-20100056531-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US disclosed
US-20100056531-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US disclosed
US-4670579-A Telomerization of olefins ETHYL CORPORATION (US) 1987-06-02 US disclosed
EP-0115403-B1 ABSORBABLE POLYMERS OF SUBSTITUTED BENZOIC ACID ETHICON, INC. (US) 1987-05-13 EP disclosed
US-4604243-A ONE STEP-ARYLAMINE IN PRESENCE OF ALKYL NITRITE, HALOGEN COMPOUND, AND COPPER CATALYST ETHYL CORPORATION (US) 1986-08-05 US disclosed
US-4594450-A Hydrolysis of the corresponding halogen containing ethylbenzene derivative TOYO SODA MANUFACTURING CO., LTD. (JP) 1986-06-10 US disclosed
US-4534909-A Process for producing a halogen-containing ethylbenzene derivative TOYO SODA MANUFACTURING CO., LTD. (JP) 1985-08-13 US disclosed
US-4532928-A RADIATION STERILIZABLE ETHICON, INC. (US) 1985-08-06 US disclosed
EP-0140229-A1 Process for producing a halogen-containing ethylbenzene derivative Tosoh Corporation (JP) 1985-05-08 EP disclosed
US-4510295-A POLYESTER COPOLYMERS; FIBERS, SUTURES, SURGICAL PRODUCTS ETHICON, INC. (US) 1985-04-09 US disclosed
EP-0115403-A1 Absorbable polymers of substituted benzoic acid ETHICON, INC. (US) 1984-08-08 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 (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-20100056531-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3B, HTR1B ATM 2729/4885CYP2C9 559/4885CYP2C19 411/4885
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR4, HTR3B ATM 2019/4885CYP2C9 699/4885CYP2C19 426/4885

“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.