SCHEMBL25856763

SCHEMBL25856763

CCC1(CC)CC(=O)c2cc(C3=NC=C(c4cccnc4)C3)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GLA P06280 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CASP1 P29466 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ TDP2 O95551 2/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ CYP11B1 P15538 5/20 0.35
▸ CYP11B2 P19099 5/20 0.35
▸ PDE3B Q13370 2/20 0.34
▸ PDE3A Q14432 2/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ BACE1 P56817 2/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ CTSD P07339 1/20 0.32
▸ MAPT P10636 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
SCHEMBL25856972 0.80 CNR1 (0.40) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL30355355 0.80 KDM4E (0.48) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL30355383 0.80 KDM4E (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL23524242 0.80 KDM4E (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL23524270 0.80 KDM4E (0.48) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL23558452 0.80 CNR1 (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL23523796 0.79 ALDH1A1 (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL30355765 0.79 ALDH1A1 (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL25856799 0.79 KDM4E (0.37) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL30355619 0.78 MAPT (0.51) KDM4EALDH1A1HPGDHSD17B10MAPT

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 2644/4885ALDH1A1 2583/4885GLA 3116/4885

“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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