SCHEMBL25857504

SCHEMBL25857504

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
AKT1 P31749 1/20 0.41
KDM4E B2RXH2 11/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 3/20 0.40
GFER P55789 1/20 0.40
ATM Q13315 4/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 6/20 0.38
GAA P10253 5/20 0.38
KLK7 P49862 1/20 0.38
RAD52 P43351 1/20 0.37
GLA P06280 3/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL7466569 0.81 KDM4E (0.60) MAPTAKT1KDM4EHPGDHSD17B10
SCHEMBL2351530 0.81 MAPT (0.63) MAPTAKT1KDM4EHPGDHSD17B10
SCHEMBL29673243 0.79 MAPT (0.47) MAPTAKT1KDM4EHPGDHSD17B10
SCHEMBL20587128 0.79 MAPT (0.47) MAPTAKT1KDM4EHPGDHSD17B10
SCHEMBL3322611 0.79 MAPT (0.43) MAPTKDM4EHPGDHSD17B10ATM
SCHEMBL25856710 0.79 CNR1 (0.36) MAPTAKT1KDM4EHPGDHSD17B10
SCHEMBL20587543 0.77 KDM4E (0.45) MAPTAKT1KDM4EHPGDHSD17B10
SCHEMBL31513297 0.77 KDM4E (0.45) MAPTAKT1KDM4EHPGDHSD17B10
SCHEMBL30953823 0.76 KDM4E (0.45) MAPTKDM4EHPGDHSD17B10ATM
SCHEMBL31513302 0.76 HTR2A (0.45) MAPTKDM4EHPGDHSD17B10ATM

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 3 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
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 MAPT 3799/4885AKT1 902/4885KDM4E 2644/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 MAPT 3799/4885AKT1 902/4885KDM4E 2644/4885

“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.