SCHEMBL20965373

SCHEMBL20965373

CCC(C)c1cc(C)c[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.46
KDM4E B2RXH2 1/20 0.41
HMBS P08397 1/20 0.37
AR P10275 1/20 0.35
TSHR P16473 1/20 0.33
RORC P51449 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
SHMT2 P34897 2/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL20965419 0.86 DAO (0.43) DAOKDM4EHMBSTSHRSHMT2
SCHEMBL20965349 0.80 GPR84 (0.45) DAOKDM4ESHMT2GAA
SCHEMBL23488021 0.80 DAO (0.52) DAOKDM4EHMBS
SCHEMBL20964694 0.77 DAO (0.48) DAOKDM4EHMBS
SCHEMBL15782179 0.70 DAO (0.54) DAOKDM4EHMBSGRIN2DGRIN3B
SCHEMBL14024571 0.68 TSHR (0.47) DAOKDM4EARTSHRRORC
SCHEMBL14544794 0.67 TSHR (0.37) KDM4ETSHRRORCHDAC4HDAC2
SCHEMBL23815676 0.66 AR (0.52) AR
SCHEMBL6943323 0.66 TSHR (0.48) TSHRRORCHDAC4HDAC2HDAC8
SCHEMBL11415140 0.66 TSHR (0.39) KDM4EARTSHRRORCGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230029187-A1 MODULATORS OF PROGRAMMED DEATH-LIGAND-1 AND/OR PROGRAMMED DEATH-LIGAND-2 SOUTHERN RESEARCH INSTITUTE 2023-01-26 US disclosed
US-11046729-B2 Dipeptide analogs as TGF-beta inhibitors SOUTHERN RESEARCH INSTITUTE (US) 2021-06-29 US disclosed
US-20190127420-A1 DIPEPTIDE ANALOGS AS TGF-BETA INHIBITORS UAB RESEARCH FOUNDATION 2019-05-02 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 (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-20230029187-A1 MODULATORS OF PROGRAMMED DEATH-LIGAND-1 AND/OR PROGRAMMED DEATH-LIGAND-2 PDCD1LG2, CD274, PDCD1 DAO 3035/4885KDM4E 2197/4885HMBS 824/4885
US-20190127420-A1 DIPEPTIDE ANALOGS AS TGF-BETA INHIBITORS TGFB1, TGFB2, SMAD3 DAO 727/4885KDM4E 1088/4885HMBS 2258/4885
US-11046729-B2 Dipeptide analogs as TGF-beta inhibitors TGFB1, TGFB2, SMAD3 DAO 727/4885KDM4E 1088/4885HMBS 2258/4885

“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.