SCHEMBL25529181

SCHEMBL25529181

COc1cc(-n2cccc(C(=O)O)c2=O)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
SORT1 Q99523 1/20 0.38
ELOVL1 Q9BW60 1/20 0.37
LMNA P02545 2/20 0.36
FEN1 P39748 2/20 0.36
PPARG P37231 1/20 0.36
MET P08581 3/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
GAA P10253 2/20 0.36
PKM P14618 2/20 0.36
GRM1 Q13255 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RIPK2 O43353 1/20 0.35
RIPK3 Q9Y572 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL29797890 0.84 L3MBTL1 (0.41) SORT1ELOVL1PPARGPOLBTDP1
SCHEMBL25529183 0.81 L3MBTL1 (0.38) KDM4EALDH1A1HPGDLMNAMET
SCHEMBL25528995 0.77 MYC (0.47) KDM4EALDH1A1SORT1GAAPKM
SCHEMBL30061627 0.77 MYC (0.47) KDM4EALDH1A1SORT1GAAPKM
SCHEMBL25233228 0.76 RIPK3 (0.45) KDM4EALDH1A1HPGDLMNAMET
SCHEMBL5759739 0.75 NOTUM (0.52) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL26601369 0.73 AKR1C3 (0.49) KDM4EALDH1A1HPGDLMNAPKM
SCHEMBL1137068 0.72 KDM4E (0.54) KDM4EALDH1A1HPGDLMNAPOLB
SCHEMBL4812121 0.71 ALDH1A1 (0.43) KDM4EALDH1A1HPGDMETGAA
SCHEMBL31064098 0.70 TYK2 (0.44) KDM4EALDH1A1HPGDLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 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 (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-20230151003-A1 COMPOUNDS AND METHODS OF USE PRKACB, PRKACA, PRKX KDM4E 3309/4885ALDH1A1 3998/4885HPGD 1359/4885

“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.