SCHEMBL304311

SCHEMBL304311

COC(=O)N(C)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
FAAH O00519 1/20 0.45
PHGDH O43175 1/20 0.45
MGLL Q99685 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 2/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
ABCC1 P33527 1/20 0.41
ACHE P22303 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ABHD6 Q9BV23 2/20 0.40
KCNH2 Q12809 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL24043005 0.98 ATM (0.43) ATMFAAHPHGDHMGLLALDH1A1
SCHEMBL14752962 0.96 ATM (0.41) ATMFAAHPHGDHMGLLALDH1A1
SCHEMBL16375382 0.89
SCHEMBL12548977 0.81 JAK1 (0.40) ATMALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL12549405 0.81 JAK1 (0.40) ATMALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL12385847 0.81 JAK1 (0.37) ATMALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL304310 0.81 FAAH (0.44) ATMFAAHPHGDHMGLLALDH1A1
SCHEMBL1951661 0.80 ATM (0.45) ATMFAAHPHGDHMGLLALDH1A1
SCHEMBL1561997 0.79 JAK1 (0.36) ATMALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL2904887 0.79 SLC6A4 (0.38) ALDH1A1SMN1; SMN2TSHRPOLBKCNH2

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-117003671-A Preparation method of dicyclohexylmethane-4, 4' -diisocyanate 同创化学(南京)有限公司 2023-11-07 CN claimed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US claimed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP claimed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US claimed
CN-117003671-A Preparation method of dicyclohexylmethane-4, 4' -diisocyanate 同创化学(南京)有限公司 2023-11-07 CN disclosed
CN-117003671-A Preparation method of dicyclohexylmethane-4, 4' -diisocyanate 同创化学(南京)有限公司 2023-11-07 CN disclosed
CN-112020493-B Method for producing urethane and method for producing isocyanate 旭化成株式会社 2023-04-21 CN disclosed
CN-114728892-A Method for producing isocyanate 旭化成株式会社 2022-07-08 CN disclosed
CN-110546135-B Method for producing isocyanate 旭化成株式会社 2021-12-14 CN disclosed
CN-112020493-A Method for producing carbamate and method for producing isocyanate 旭化成株式会社 2020-12-01 CN disclosed
CN-110546135-A Method for producing isocyanate ASAHI CHEMICAL IND 2019-12-06 CN disclosed
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 US disclosed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA ATM 1715/4885FAAH 2394/4885PHGDH 149/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ATM 4071/4885FAAH 3448/4885PHGDH 1208/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM ATM 3300/4885FAAH 4438/4885PHGDH 1702/4885

“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.