SCHEMBL4922984

SCHEMBL4922984

CCCCCOC(=O)OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
EPHX1 P07099 1/20 0.46
TSHR P16473 3/20 0.44
ALDH1A1 P00352 1/20 0.43
HCAR2 Q8TDS4 2/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
FAAH O00519 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
SCHEMBL18856301 0.98 NAAA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL10087800 0.98 NAAA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL10087794 0.98 NAAA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL10087798 0.98 NAAA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL21451307 0.98 NAAA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL6897799 0.98 NAAA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL10087793 0.98 NAAA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL10087797 0.98 NAAA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL10087796 0.98 NAAA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL10087799 0.98 NAAA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 US disclosed
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
US-20220209301-A1 CARBONATE SOLVENTS FOR NON-AQUEOUS ELECTROLYTES FOR METAL AND METAL-ION BATTERIES SCE FRANCE (FR) 2022-06-30 US disclosed
EP-3956288-A1 CARBONATE SOLVENTS FOR NON-AQUEOUS ELECTROLYTES FOR METAL AND METAL-ION BATTERIES SCE France (FR) 2022-02-23 EP disclosed
CN-113795963-A Carbonate solvents for non-aqueous electrolytes for metal and metal ion batteries 斯塞法国公司 2021-12-14 CN disclosed
WO-2020212872-A1 CARBONATE SOLVENTS FOR NON-AQUEOUS ELECTROLYTES FOR METAL AND METAL-ION BATTERIES SCE FRANCE (FR) 2020-10-22 WO disclosed
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2019-07-16 US disclosed
US-20190084937-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-03-21 US disclosed
US-10040787-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-08-07 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-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 US disclosed
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 US disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 US disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 US disclosed
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MARUYAMA TAKAHISA 2010-06-10 US disclosed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US disclosed
CN-101292942-A Dermatologic preparation composition containing gamma-oryzanol KOWA CO (JP) 2008-10-29 CN disclosed
US-20080161394-A1 Cosmetic composition comprising at least one volatile carbonic acid ester L'OREAL S.A. (FR) 2008-07-03 US disclosed
CN-101084043-A Varnish composition based on a solvent exclusively of vegetable origin DURLIN FRANCE (FR) 2007-12-05 CN disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US 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 (10 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-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT NAAA 985/4885EPHX1 4523/4885TSHR 1626/4885
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE NAAA 1737/4885EPHX1 2167/4885TSHR 1280/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM NAAA 44/4885EPHX1 3352/4885TSHR 1341/4885
US-20190084937-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE NAAA 1737/4885EPHX1 2167/4885TSHR 1280/4885
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE NAAA 1737/4885EPHX1 2167/4885TSHR 1280/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 NAAA 2/4885EPHX1 1504/4885TSHR 3738/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE NAAA 1737/4885EPHX1 2167/4885TSHR 1280/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 NAAA 2/4885EPHX1 1504/4885TSHR 3738/4885
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS MPO, CAT, SOD1 NAAA 183/4885EPHX1 379/4885TSHR 2529/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE NAAA 1737/4885EPHX1 2167/4885TSHR 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.