SCHEMBL24945816

SCHEMBL24945816

CC(C)(C)c1cc(Cl)c(C(F)(F)F)cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.60
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
KDM4E B2RXH2 1/20 0.60
CYP1A2 P05177 1/20 0.60
MAPT P10636 1/20 0.60
ATP2A2 P16615 1/20 0.60
ATP2A3 Q93084 1/20 0.60
TP53 P04637 4/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 1/20 0.46
CYP2C9 P11712 3/20 0.41
TYR P14679 2/20 0.41
NR1I2 O75469 1/20 0.41
MIF P14174 1/20 0.41
HTT P42858 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HIF1A Q16665 2/20 0.41

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
SCHEMBL24945817 0.92 ALDH1A1 (0.54) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL16736702 0.87 ALOX15 (0.71) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL16117670 0.81 ALDH1A1 (0.67) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL9503098 0.79 ALDH1A1 (0.71) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL4126691 0.79 ALOX15 (0.64) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL23239697 0.78 RAPGEF4 (0.40) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL16117684 0.78 ALOX15 (0.56) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL11602223 0.78 NOTUM (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL38604 0.78 ALOX15 (1.00) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL23542367 0.76 ALDH1A1 (0.59) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-01-26 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 (1 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-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNA3, KCNH2, KCNJ2 ALOX15 4647/4885ALDH1A1 1910/4885SMN1; SMN2 2503/4885

“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.