SCHEMBL25856945

SCHEMBL25856945

CCC1(CC)CC(=O)c2cc(-c3cc(-c4cccc(C)c4)co3)ccc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.45
▸ KDM4E B2RXH2 5/20 0.38
▸ ATM Q13315 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAD52 P43351 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ ENPP3 O14638 2/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.32
▸ PARP11 Q9NR21 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ CASP1 P29466 1/20 0.32

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
SCHEMBL25856660 0.89 CNR1 (0.39) PGRKDM4EATMHTTRAD52
SCHEMBL25856668 0.84 CNR1 (0.40) KDM4EATMHTTRAD52CNR1
SCHEMBL25856900 0.82 MAOB (0.43) PGRKDM4EATMHTTRAD52
SCHEMBL25856946 0.80 CNR1 (0.33) KDM4EATMHTTRAD52CNR1
SCHEMBL23524132 0.78 GAA (0.54) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL30355549 0.78 GAA (0.54) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL25856903 0.78 PGR (0.38) PGRKDM4EATMHTTRAD52
SCHEMBL25863960 0.78 RARB (0.40) KDM4ECNR1CNR2MAPTALDH1A1
SCHEMBL7466569 0.77 KDM4E (0.60) KDM4EATMHTTRAD52CNR1
SCHEMBL23558461 0.72 NPC1 (0.45) CNR1CNR2MAOBHPGDKMT2A

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 PGR 1551/4885KDM4E 2644/4885ATM 3844/4885

“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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