Sugi Predict

Sugi Predict / Compounds / SCHEMBL5040922

SCHEMBL5040922

SCHEMBL5040922

C=CCC(C=C)OC(=O)CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 2/20 0.32
▸ GRIK2 Q13002 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ABCC4 O15439 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ CPA1 P15085 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL9679700 0.83 ABCC4 (0.38) GRIK1GRIK2ALDH1A1LMNAABCC4
SCHEMBL8062931 0.81 ABCC4 (0.46) ALDH1A1LMNAABCC4MAPTCYP2C19
SCHEMBL5392970 0.80 ABCC4 (0.48) ALDH1A1LMNAABCC4MAPTALOX15
SCHEMBL11025212 0.80 ABCC4 (0.44) ALDH1A1LMNAABCC4MAPTCYP2C19
SCHEMBL5132469 0.79 GRIK1 (0.35) GRIK1GRIK2ABCC4MAPTCYP2C19
Bicarbonate SCHEMBL29287652 0.78 GRIK1 (0.34) GRIK1GRIK2ABCC4MAPTCYP2C19
SCHEMBL27726493 0.77 GRIK1 (0.32) GRIK1GRIK2CYP2C19CPA1
SCHEMBL8773346 0.74 SMN1; SMN2 (0.39) GRIK1GRIK2
SCHEMBL10921623 0.74 TSHR (0.37) GRIK1GRIK2ALDH1A1LMNAMAPT
SCHEMBL28407507 0.74 TSHR (0.38) GRIK1GRIK2ALDH1A1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015293-A Water-based barrier coating compositions MEADWESTVACO CORP 2011-04-13 — — CN claimed
CN-1574446-A Organic electrolytic solution and lithium battery employing the same SAMSUNG SDI CO LTD (KR) 2005-02-02 — — CN claimed
CN-109310082-B Timed release granular agrochemical composition and process for producing the same 拜耳农作物科学股份公司 2022-03-29 — — CN disclosed
CN-109310082-A Timed release granular agrochemical composition and process for producing the same 拜耳农作物科学股份公司 2019-02-05 — — CN disclosed
CN-107897194-A Use of 5-phenyl-or 5-benzyl-2-isoxazoline-3-carboxylic acid esters for improving plant yield 拜耳知识产权有限责任公司 2018-04-13 — — CN disclosed
CN-102239166-B Substituted 1- (thiazolyl) -and 1- (isothiazolyl) pyrazol-4-ylacetic acids, method for the production thereof and use thereof 拜耳知识产权有限责任公司 2017-10-13 — — CN disclosed
CN-104854172-B The production of thin silicone film 瓦克化学股份公司 2017-08-11 — — CN disclosed
CN-103929956-B Use of acylsulfonamides for improving plant yield 拜耳知识产权有限责任公司 2017-02-22 — — CN disclosed
CN-102197331-B Based on the optical compensating film of stretching polymer film AKRON POLYMER SYSTEMS (US) 2016-03-23 — — CN disclosed
CN-103249473-B Composite semipermeable membrane and manufacture method thereof TORAY INDUSTRIES, INC. (JP) 2016-01-13 — — CN disclosed
CN-103929956-A Use of acylsulfonamides for improving plant yield BAYER IP GMBH 2014-07-16 — — CN disclosed
EP-1633354-A2 N-(((((1,3-THIAZOL-2-YL)AMINO)CARBONYL)PHENYL)SULFONYL)PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES The Institutes for Pharmaceutical Discovery, LLC (US) 2006-03-15 — — EP disclosed
CN-1641481-A Light-sensitive transfer sheet, light-sensitive layers, method for forming image pattern and method for distribution pattern FUJI PHOTO FILM CO LTD (JP) 2005-07-20 — — CN disclosed
CN-1574446-A Organic electrolytic solution and lithium battery employing the same SAMSUNG SDI CO LTD (KR) 2005-02-02 — — CN disclosed
US-20040248937-A1 Substituted phenylalkanoic acids for the treatment of diabetes THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-09 — — US disclosed
WO-2004092146-A2 N- (((((1,3-THIAZOL-2-YL) AMINO) CARBONYL) PHENYL) SULFONYL) PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-10-28 — — WO disclosed
CN-1390365-A Wet-on-wet coating method for producing composite bodies that are suitable for use in lithium ion batteries BASF AG (DE) 2003-01-08 — — CN disclosed
CN-1355940-A Composite material suitable for use as a separator for a chemical battery BASF AG (DE) 2002-06-26 — — CN disclosed
CN-1220030-A Composition suitable as solid electrolytes or separators for electrochemical cells BASF AG (DE) 1999-06-16 — — CN disclosed
CN-1143989-A Binder mixtures for paper-coating materials BASF AG (DE) 1997-02-26 — — CN 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 (1 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-20040248937-A1 Substituted phenylalkanoic acids for the treatment of diabetes PTP4A1, PTPRJ, PPM1B GRIK1 1090/4885GRIK2 2613/4885ALDH1A1 123/4885

“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.