SCHEMBL25856722

SCHEMBL25856722

CCC1(CC)CC(=O)c2cc(C3=CC(c4ccc(C)cc4)=NC3)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.39
▸ ATM Q13315 4/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAD52 P43351 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ GAA P10253 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ CASP1 P29466 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ ACACB O00763 2/20 0.32
▸ GLA P06280 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAOB P27338 1/20 0.31
▸ ACACA Q13085 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CASP7 P55210 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
SCHEMBL25856770 0.92 CNR1 (0.40) KDM4EATMHTTRAD52CNR1
SCHEMBL25856939 0.87 CNR1 (0.40) KDM4EATMHTTRAD52CNR1
SCHEMBL25856727 0.84 NCOA1 (0.40) KDM4ECNR1CNR2
SCHEMBL25856817 0.83 CNR1 (0.32) CNR1CNR2
SCHEMBL25856728 0.80 KDM4E (0.39) KDM4EATMHTTRAD52CNR1
SCHEMBL7466569 0.77 KDM4E (0.60) KDM4EATMHTTRAD52CNR1
SCHEMBL23523716 0.75 NPC1 (0.43) KDM4EATMHTTMAPTALDH1A1
SCHEMBL30355571 0.75 NPC1 (0.43) KDM4EATMHTTMAPTALDH1A1
SCHEMBL25856903 0.74 PGR (0.38) KDM4EATMHTTRAD52CNR1
SCHEMBL25856945 0.72 PGR (0.45) KDM4EATMHTTRAD52CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 KDM4E 2644/4885ATM 3844/4885HTT 3156/4885

“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.

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