SCHEMBL11045503

SCHEMBL11045503

O=C/C=C/c1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.53
XDH P47989 2/20 0.53
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
CCNB2 O95067 2/20 0.47
CDK1 P06493 2/20 0.47
CDK4 P11802 2/20 0.47
CCNB1 P14635 2/20 0.47
CCND1 P24385 2/20 0.47
CCNB3 Q8WWL7 2/20 0.47
TRPA1 O75762 2/20 0.46
LMNA P02545 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPK1 P28482 1/20 0.46
PTGS2 P35354 1/20 0.41
PABPC1 P11940 1/20 0.41
RAB9A P51151 1/20 0.41
EIF4H Q15056 1/20 0.41
CYP1A1 P04798 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
SCHEMBL2126131 1.00 NFE2L2 (0.53) NFE2L2XDHALDH1A1KDM4EMAPT
SCHEMBL30569765 1.00 NFE2L2 (0.53) NFE2L2XDHALDH1A1KDM4EMAPT
SCHEMBL12651352 0.83 XDH (0.50) NFE2L2XDHALDH1A1KDM4EMAPT
SCHEMBL22417964 0.82 XDH (0.48) NFE2L2XDHALDH1A1KDM4EMAPT
SCHEMBL18255202 0.82 XDH (0.48) NFE2L2XDHALDH1A1KDM4EMAPT
SCHEMBL31335285 0.82 XDH (0.48) NFE2L2XDHALDH1A1KDM4EMAPT
SCHEMBL18345531 0.82 XDH (0.48) NFE2L2XDHALDH1A1KDM4EMAPT
SCHEMBL21676224 0.82 XDH (0.48) NFE2L2XDHALDH1A1KDM4EMAPT
SCHEMBL21676111 0.82 VCP (0.57) NFE2L2XDHALDH1A1KDM4EMAPT
SCHEMBL14990172 0.82 XDH (0.48) NFE2L2XDHALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118164996-A Sesquiterpene lactone scaberol C selenoether derivative, preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-118164997-A Sesquiterpene lactone scaberol C thioether derivative, and preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-118164998-A Sesquiterpene lactone scaberol C dithio carbamate derivative and preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-111153910-B Elephantopus scaber seed lactone derivative and preparation method and application thereof 沈阳药科大学 2021-07-30 CN claimed
CN-111153910-A Elephantopus scaber seed lactone derivative and preparation method and application thereof 沈阳药科大学 2020-05-15 CN claimed
CN-118164998-A Sesquiterpene lactone scaberol C dithio carbamate derivative and preparation method and application thereof 沈阳药科大学 2024-06-11 CN disclosed
CN-118164996-A Sesquiterpene lactone scaberol C selenoether derivative, preparation method and application thereof 沈阳药科大学 2024-06-11 CN disclosed
CN-118164997-A Sesquiterpene lactone scaberol C thioether derivative, and preparation method and application thereof 沈阳药科大学 2024-06-11 CN disclosed
CN-108752212-B 9-decarboxylated rosmarinic acid analogue and synthetic method and application thereof 北京大学 2024-03-12 CN disclosed
US-11851433-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2023-12-26 US disclosed
US-11851433-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2023-12-26 US disclosed
EP-3625234-B1 HEXAHYDROPYRAZOLO [1,2-A] DIAZEPINONES AND RELATED HETEROCYCLES AS INHIBITORS OF RIP-1 KINASE DENALI THERAPEUTICS INC (US) 2023-09-20 EP disclosed
WO-2013017678-A1 NOVEL SPIROINDOLINE COMPOUNDS INTERVET INTERNATIONAL B.V. (NL) 2013-02-07 WO disclosed
WO-2013017678-A1 NOVEL SPIROINDOLINE COMPOUNDS INTERVET INTERNATIONAL B.V. (NL) 2013-02-07 WO disclosed
CN-101910144-A P-hydroxy-phenyl acrylic acid derivative and application thereof JINLONG MAO 2010-12-08 CN disclosed
WO-2010123006-A1 PYRROLIDINE COMPOUND 武田薬品工業株式会社 (JP) 2010-10-28 WO disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 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 (2 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-20100048513-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 NFE2L2 3735/4885XDH 621/4885ALDH1A1 1606/4885
US-11851433-B2 Compounds, compositions and methods BAX, CASP3, CASP8 NFE2L2 177/4885XDH 858/4885ALDH1A1 3491/4885

“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.