SCHEMBL23352159

SCHEMBL23352159

COc1ccc(C(F)(F)F)c(C(=O)C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.46
EPHX2 P34913 5/20 0.46
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
P2RX1 P51575 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.43
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C1 Q04828 1/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL26440433 0.88 LIMK1 (0.49) LIMK1EPHX2MAPTNPSR1LMNA
SCHEMBL23140494 0.82 SMN1; SMN2 (0.54) EPHX2MAPTNPSR1LMNAGAA
SCHEMBL30938277 0.82 SMN1; SMN2 (0.54) EPHX2MAPTNPSR1LMNAGAA
SCHEMBL30938335 0.81 MAPK10 (0.50) EPHX2MAPTNPSR1LMNAGAA
SCHEMBL30938349 0.81 KDM4E (0.59) EPHX2MAPTNPSR1LMNAGAA
SCHEMBL13761323 0.77 MAPT (0.62) MAPTNPSR1LMNAKDM4ECYP2C9
SCHEMBL4121932 0.77 NPC1 (0.53) MAPTLMNAGAASMN1; SMN2P2RX1
SCHEMBL25568108 0.76 GAA (0.43) EPHX2MAPTNPSR1LMNAGAA
SCHEMBL16163247 0.76 HPGD (0.57) MAPTNPSR1GAASMN1; SMN2AKR1C3
SCHEMBL9203943 0.76 NOS2 (0.50) MAPTNPSR1GAASMN1; SMN2AKR1C3

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-11912736-B2 Diaryl trehalose compounds and uses thereof THE UNIVERSITY OF MONTANA (US) 2024-02-27 US disclosed
US-11912736-B2 Diaryl trehalose compounds and uses thereof THE UNIVERSITY OF MONTANA (US) 2024-02-27 US disclosed
US-20210139521-A1 DIARYL TREHALOSE COMPOUNDS AND USES THEREOF THE UNIV OF MONTANA (US) 2021-05-13 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-20210139521-A1 DIARYL TREHALOSE COMPOUNDS AND USES THEREOF TREH, STT3B, DDOST LIMK1 3413/4885EPHX2 3109/4885MAPT 493/4885
US-11912736-B2 Diaryl trehalose compounds and uses thereof TREH, STT3B, DDOST LIMK1 3413/4885EPHX2 3109/4885MAPT 493/4885

“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.