SCHEMBL25857447

SCHEMBL25857447

CC1(C)CC(=O)c2cc(OC=O)ccc2O1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.61
ALDH1A1 P00352 13/20 0.61
GAA P10253 10/20 0.61
HPGD P15428 8/20 0.61
GLA P06280 6/20 0.61
CASP1 P29466 3/20 0.61
HSD17B10 Q99714 3/20 0.61
CASP7 P55210 1/20 0.61
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAOB P27338 5/20 0.47
KLK7 P49862 1/20 0.46

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
SCHEMBL6086511 0.84 KDM4E (0.65) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL25857451 0.82 KDM4E (0.45) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL4010310 0.81 KDM4E (0.62) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6935038 0.78 KDM4E (0.69) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL27762198 0.78 MAPT (0.63) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6086547 0.76 KDM4E (0.59) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL68892 0.75 MAPT (0.69) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6604268 0.75 MAOB (0.82) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL1821389 0.74 MAPT (0.71) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL1146916 0.74 MAPT (1.00) KDM4EALDH1A1GAAHPGDGLA

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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
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 (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 KDM4E 2644/4885ALDH1A1 2583/4885GAA 3859/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 KDM4E 2644/4885ALDH1A1 2583/4885GAA 3859/4885

“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.