SCHEMBL57600

SCHEMBL57600

[CH2]CCCCOCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
NAAA Q02083 4/20 0.43
TEAD3 Q99594 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
IDO1 P14902 1/20 0.41
GBA1 P04062 2/20 0.41
UGCG Q16739 2/20 0.41
GBA2 Q9HCG7 2/20 0.41
EPHX2 P34913 1/20 0.41
LTA4H P09960 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
SCHEMBL59225 0.98 L3MBTL1 (0.54) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL8497842 0.98 L3MBTL1 (0.54) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL8501290 0.98 L3MBTL1 (0.54) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL8498777 0.98 L3MBTL1 (0.54) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL2167509 0.98 L3MBTL1 (0.54) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL2167093 0.98 L3MBTL1 (0.54) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL8500321 0.98 L3MBTL1 (0.54) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL8497248 0.98 L3MBTL1 (0.54) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL2167399 0.98 L3MBTL1 (0.54) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL2165815 0.98 L3MBTL1 (0.54) TSHRL3MBTL1TDP1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162799-B1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-03-10 EP claimed
US-20190233380-A1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-01 US claimed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 US claimed
EP-3162799-A1 FLUOROALKYLATING AGENT Ihara Chemical Industry Co., Ltd. (JP) 2017-05-03 EP claimed
CN-1523981-A A pharmaceutical tablet having a high API content ����˹�ж�-����˹˹������˾ 2004-08-25 CN claimed
CN-1104410-C Phenyl acetic acid derivatives, process and intermediate products for their production and agents containing them BASF AG (DE) 2003-04-02 CN claimed
CN-1072667-C Mercaptoalkylpeptidyl compounds having an imidazole substituent and their use as inhibitors of matrix metalluproteinass (MMP) and/or tumour necrosis factor (TNF) DARWIN DISCOVERY LTD (GB) 2001-10-10 CN claimed
US-5877312-A Method for preparing alkylating agents for their use for alkylating cyclic ureas DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-02 US claimed
CN-1202895-A Mercaptoalkylpeptidyl compounds having an imidazole substituent and their use as inhibitors of matrix metalluproteinass (MMP) and/or tumour necrosis factor (TNF) DARWIN DISCOVERY LTD (GB) 1998-12-23 CN claimed
CN-1198747-A Sulfur-substituted peptides as metalloproteinase and TNF release inhibitors DARWIN DISCOVERY LTD (GB) 1998-11-11 CN claimed
CN-1193978-A Peptidyl compounds and their therapeutic use as inhibitors of metalloproteases CHIROSCIENCE LTD (GB) 1998-09-23 CN claimed
US-5637780-A Method for preparing alkylating agents and their use for alkylating cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-10 US claimed
EP-0767770-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-16 EP claimed
CN-1143359-A Phenyl acetic acid derivatives, process and intermediate products for their production and agents containing them BASF AG (DE) 1997-02-19 CN claimed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO claimed
US-4171304-A 2-Iodomethylpenams CONNLAB HOLDINGS LIMITED (CA) 1979-10-16 US claimed
CN-117658885-A Benzyloxy aryl compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-03-08 CN disclosed
CN-117658885-A Benzyloxy aryl compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-03-08 CN disclosed
EP-0129798-A1 Fungicidal azole compounds, their preparation and use BASF Aktiengesellschaft (DE) 1985-01-02 EP disclosed
EP-0122494-A2 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-24 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-20190233380-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 TSHR 270/4885L3MBTL1 1520/4885TDP1 3030/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 TSHR 270/4885L3MBTL1 1520/4885TDP1 3030/4885

“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.