SCHEMBL1041983

SCHEMBL1041983

COC(=O)C1(c2ccccc2)CCCC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.63
HDAC4 P56524 2/20 0.61
CHRM3 P20309 2/20 0.58
APOBEC3A P31941 3/20 0.57
APOBEC3G Q9HC16 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
PRCP P42785 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
HTT P42858 2/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HSD11B1 P28845 1/20 0.52
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
P2RX7 Q99572 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL1038755 0.98 HDAC4 (0.62) AKR1C1HDAC4CHRM3APOBEC3AAPOBEC3G
SCHEMBL1042494 0.98 HDAC4 (0.62) AKR1C1HDAC4CHRM3APOBEC3AAPOBEC3G
SCHEMBL1042365 0.98 HDAC4 (0.62) AKR1C1HDAC4CHRM3APOBEC3AAPOBEC3G
SCHEMBL2481767 0.96 AKR1C1 (0.58) AKR1C1HDAC4CHRM3APOBEC3AAPOBEC3G
SCHEMBL349195 0.92 MEN1 (0.56) AKR1C1HDAC4CHRM3APOBEC3AAPOBEC3G
Iodomethane SCHEMBL3898463 0.89 MEN1 (0.53) AKR1C1HDAC4CHRM3APOBEC3AAPOBEC3G
SCHEMBL21761835 0.86 MEN1 (0.54) AKR1C1HDAC4CHRM3APOBEC3AAPOBEC3G
SCHEMBL329509 0.85 AKR1C1 (0.68) AKR1C1HDAC4CHRM3APOBEC3AAPOBEC3G
SCHEMBL10105374 0.85 OPRM1 (0.64) CHRM3MEN1KMT2AHSD11B1MAPK1
SCHEMBL378799 0.84 OPRM1 (0.70) CHRM3MEN1KMT2AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117210834-A Electrochemical-based promotion of CO 2 Method for synthesizing dicarboxylic acid compound 四川大学 2023-12-12 CN disclosed
WO-2023083343-A1 POLYCYCLIC COMPOUNDS AND METHODS THEREOF HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) 2023-05-19 WO disclosed
US-10777850-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2020-09-15 US disclosed
CN-107078352-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-04-28 CN disclosed
US-10424812-B2 Non-aqueous electrolytic solution and non-aqueous electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-09-24 US disclosed
US-20190051941-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2019-02-14 US disclosed
US-10177414-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-01-08 US disclosed
EP-3203569-B1 NONAQUEOUS ELECTROLYTE, AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY USING SAME MITSUBISHI CHEM CORP (JP) 2018-10-31 EP disclosed
EP-3098893-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING SAME MITSUBISHI CHEM CORP (JP) 2017-11-29 EP disclosed
US-20170275277-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2017-09-28 US disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
US-20050288357-A1 Gamma lactams as prostaglandin agonists and use thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-12-29 US disclosed
EP-1482935-A1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY Warner-Lambert Company LLC (US) 2004-12-08 EP disclosed
US-20030207924-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 US disclosed
WO-2003074050-A1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2003-09-12 WO disclosed
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed
US-5331010-A TREATING MAMMALS FOR CONVULSIONS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1994-07-19 US disclosed
US-4684396-A Triazole and imidazole compounds useful as plant growth regulators and fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-08-04 US disclosed
EP-0153797-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-09-04 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-20170275277-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 AKR1C1 1861/4885HDAC4 1961/4885CHRM3 3/4885
US-20050288357-A1 Gamma lactams as prostaglandin agonists and use thereof PGF, HPGDS, PTGIS AKR1C1 2194/4885HDAC4 2088/4885CHRM3 3075/4885
US-20030207924-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG AKR1C1 1431/4885HDAC4 358/4885CHRM3 997/4885

“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.