SCHEMBL23558353

SCHEMBL23558353

O=C(O)c1ccc(C2=CCC(c3ccc4c(c3)C(=O)CC(CO)(CO)C4)=C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.36
RARB P10826 11/20 0.35
RARG P13631 11/20 0.35
RARA P10276 10/20 0.35
RXRA P19793 5/20 0.34
MAP4K4 O95819 4/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
NR2E1 Q9Y466 1/20 0.31
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
SCHEMBL23558360 0.91
SCHEMBL23557997 0.90 TYRO3 (0.31) TDP2
SCHEMBL23558002 0.88 TDP2 (0.34) TDP2
SCHEMBL23558073 0.87
SCHEMBL23557965 0.86 NPC1 (0.32) TDP2
SCHEMBL23558252 0.85
SCHEMBL23558470 0.82
SCHEMBL23558027 0.82 TDP2 (0.39) TDP2ESR2
SCHEMBL23558311 0.82
SCHEMBL23558237 0.81 NAMPT (0.33)

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 TDP2 2869/4885RARB 2444/4885RARG 2654/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 TDP2 2869/4885RARB 2444/4885RARG 2654/4885

“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.