SCHEMBL25857451

SCHEMBL25857451

CCC1(CC)CC(=O)c2cc(OC=O)ccc2O1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.45
ALDH1A1 P00352 15/20 0.45
GAA P10253 11/20 0.45
HPGD P15428 11/20 0.45
GLA P06280 8/20 0.45
CASP1 P29466 5/20 0.45
HSD17B10 Q99714 5/20 0.45
CASP7 P55210 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KLK7 P49862 1/20 0.43
NPC1 O15118 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.37
PPIB P23284 1/20 0.37

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
SCHEMBL25857447 0.82 KDM4E (0.61) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL7466569 0.77 KDM4E (0.60) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL29673243 0.76 MAPT (0.47) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL20587128 0.76 MAPT (0.47) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL3322611 0.76 MAPT (0.43) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL25857504 0.74 MAPT (0.41) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL20587543 0.74 KDM4E (0.45) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL31513297 0.74 KDM4E (0.45) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL8882447 0.74 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2KLK7
SCHEMBL30953823 0.73 KDM4E (0.45) 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.