SCHEMBL23558305

SCHEMBL23558305

Cc1cccc(C2=CCC(c3ccc4c(c3)C(=O)CC(CO)(CO)O4)=C2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.38
KDM4E B2RXH2 6/20 0.36
ATM Q13315 3/20 0.36
RAD52 P43351 1/20 0.36
HTT P42858 1/20 0.35
NR3C2 P08235 1/20 0.33
MAPT P10636 1/20 0.33
ACACB O00763 1/20 0.32
MAOB P27338 1/20 0.32
FYN P06241 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 2/20 0.31
CASP1 P29466 2/20 0.31
HSD17B10 Q99714 2/20 0.31
GLA P06280 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 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
SCHEMBL25856903 0.91 PGR (0.38) PGRKDM4EATMRAD52HTT
SCHEMBL23558156 0.89 MAPT (0.38) KDM4EMAPTALDH1A1KMT2A
SCHEMBL23558365 0.88 ABL1 (0.35) KDM4EMAPTALDH1A1KMT2A
SCHEMBL23557952 0.85 MAPT (0.41) KDM4EATMRAD52MAPTALDH1A1
SCHEMBL25863181 0.83 KDM4E (0.36) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL23558074 0.82 MAPT (0.34) KDM4EMAPT
SCHEMBL23558229 0.81 MAPT (0.31) MAPT
SCHEMBL23558450 0.81 GAA (0.35) KDM4EHTTMAPTALDH1A1GAA
SCHEMBL25863251 0.81 MAPT (0.40) KDM4EATMRAD52MAPTALDH1A1
SCHEMBL25864026 0.81 MAPT (0.31) KDM4EMAPTALDH1A1GAAHPGD

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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 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 (2 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
US-20210188826-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.