SCHEMBL25856719

SCHEMBL25856719

CCc1ccc(C2=CCC(c3ccc4c(c3)C(=O)CC(CC)(CC)O4)=C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 8/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ HPGD P15428 3/20 0.32
▸ GAA P10253 3/20 0.32
▸ CASP1 P29466 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ HTT P42858 1/20 0.31
▸ GLA P06280 2/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ RAD52 P43351 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PARP1 P09874 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
SCHEMBL25856728 0.90 KDM4E (0.39) ATML3MBTL1CNR1CNR2MAPT
SCHEMBL25864137 0.90 KDM4E (0.36) ATML3MBTL1CNR1CNR2MAPT
SCHEMBL25856879 0.89 KDM4E (0.34) ATML3MBTL1CNR1CNR2MAPT
SCHEMBL25856845 0.87 KDM4E (0.35) ATMCNR1CNR2MAPTKDM4E
SCHEMBL25856853 0.86 KDM4E (0.34) ATML3MBTL1CNR1CNR2MAPT
SCHEMBL25856903 0.85 PGR (0.38) ATMCNR1CNR2MAPTKDM4E
SCHEMBL25863251 0.85 MAPT (0.40) ATMCNR1CNR2MAPTKDM4E
SCHEMBL25856810 0.83 CNR1 (0.33) ATMCNR1CNR2MAPTKDM4E
SCHEMBL25856218 0.82 CNR1 (0.34) CNR1CNR2MAPTKDM4E
SCHEMBL25856811 0.81 CNR1 (0.37) L3MBTL1CNR1CNR2MAPTKDM4E

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 ATM 3844/4885L3MBTL1 3606/4885CNR1 20/4885

“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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