SCHEMBL23558156

SCHEMBL23558156

O=C1CC(CO)(CO)Oc2ccc(C3=CC(c4cccc(O)c4)=CC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
AKT1 P31749 1/20 0.34
TDP2 O95551 2/20 0.33
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGS2 P35354 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL23557952 0.90 MAPT (0.41) MAPTAKT1KMT2AKDM4EALDH1A1
SCHEMBL23558365 0.89 ABL1 (0.35) MAPTKMT2AKDM4EALDH1A1
SCHEMBL23558305 0.89 PGR (0.38) MAPTKMT2AKDM4EALDH1A1
SCHEMBL23558074 0.85 MAPT (0.34) MAPTAKT1KDM4E
SCHEMBL25863251 0.84 MAPT (0.40) MAPTAKT1KMT2AKDM4EALDH1A1
SCHEMBL25863181 0.84 KDM4E (0.36) MAPTKMT2AKDM4EALDH1A1
SCHEMBL23558450 0.82 GAA (0.35) MAPTKMT2AKDM4EALDH1A1
SCHEMBL25864026 0.82 MAPT (0.31) MAPTKDM4EALDH1A1
SCHEMBL23558229 0.82 MAPT (0.31) MAPT
SCHEMBL23558288 0.82

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 MAPT 3799/4885AKT1 902/4885TDP2 2869/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 MAPT 3799/4885AKT1 902/4885TDP2 2869/4885

“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.