SCHEMBL1439148

SCHEMBL1439148

CCCOC(=O)C1(C)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 4/20 0.37
TSHR P16473 4/20 0.37
LMNA P02545 4/20 0.37
SIGMAR1 Q99720 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
ABCB11 O95342 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CYP2C9 P11712 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD1 P21728 1/20 0.37
HRH2 P25021 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL1439277 0.98 CYP3A4 (0.40) ALDH1A1CYP3A4TSHRLMNASIGMAR1
SCHEMBL23199851 0.88 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRLMNAMEN1
SCHEMBL16391280 0.86 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRLMNASIGMAR1
SCHEMBL18856346 0.85 EPHX1 (0.50) ALDH1A1CYP3A4TSHRLMNAMAPK1
SCHEMBL16748755 0.84 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRLMNAHSD17B10
SCHEMBL11172290 0.83 GAA (0.38) ALDH1A1CYP3A4TSHRLMNASIGMAR1
SCHEMBL60903 0.83 BRD4 (0.41) ALDH1A1LMNAKCNH2HSD17B10MEN1
SCHEMBL18819444 0.81 ALDH1A1 (0.38) ALDH1A1TSHRLMNACHRM1KCNH2
SCHEMBL29470976 0.81 OPRM1 (0.41) ALDH1A1CHRM1CHRM5CHRM3SCN1A
SCHEMBL16086270 0.81 TSHR (0.38) ALDH1A1CYP3A4TSHRLMNASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US claimed
US-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2022-12-06 US disclosed
US-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-12-31 US disclosed
US-10723728-B2 Prodrugs of Nh-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2020-07-28 US disclosed
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-17 US disclosed
US-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-09-21 US disclosed
EP-2445502-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES PHARMA IRELAND LTD (IE) 2017-06-21 EP disclosed
US-9650341-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-16 US disclosed
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways HUNTER-FLEMING LIMITED (GB) 2013-01-24 US disclosed
EP-1848426-B1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HUNTER FLEMING LTD (GB) 2012-08-01 EP disclosed
EP-0570245-A2 Octahydronaphthalene oxime derivatives for cholesterol biosynthesis inhibition, their preparation and use SANKYO COMPANY LIMITED (JP) 1993-11-18 EP disclosed
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed
US-5242914-A 2-(heterocyclylthio) carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY, LIMITED (JP) 1993-09-07 US disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed
US-5104867-A 2-(HETEROCYCLYLTHIO)CARBAPENEM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIBIOTICS SANKYO COMPANY, LIMITED (JP) 1992-04-14 US disclosed
EP-0443883-A1 Carbapenem derivatives having antibiotic activity, their preparation and their use Sankyo Company Limited (JP) 1991-08-28 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
EP-0363223-A2 3-Aryloxymethyl-cephalosporin derivatives, their preparation and their medical use Sankyo Company Limited (JP) 1990-04-11 EP disclosed
EP-0337637-A1 2-(Heterocyclylthio)carbapenem derivatives their preparation and their use as antibiotics Sankyo Company Limited (JP) 1989-10-18 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 (6 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-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L ALDH1A1 113/4885CYP3A4 16/4885TSHR 4488/4885
US-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ALDH1A1 599/4885CYP3A4 257/4885TSHR 1280/4885
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways PTGES2, PTGES, PTGS2 ALDH1A1 804/4885CYP3A4 1415/4885TSHR 3738/4885
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE ALDH1A1 599/4885CYP3A4 257/4885TSHR 1280/4885
US-10723728-B2 Prodrugs of Nh-acidic compounds SI, NAAA, NIT2 ALDH1A1 1082/4885CYP3A4 733/4885TSHR 3738/4885
US-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE ALDH1A1 599/4885CYP3A4 257/4885TSHR 1280/4885

“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.