SCHEMBL13522452

SCHEMBL13522452

CC(F)(F)c1cccc(C2CC(=O)Oc3c2ccc2ccccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
TP53 P04637 4/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH2 P05091 1/20 0.41
SIRT2 Q8IXJ6 3/20 0.39
HPGD P15428 1/20 0.38
CYP19A1 P11511 1/20 0.37
HTT P42858 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
SCHEMBL12162786 0.93 MAPT (0.42) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL14047394 0.91 MAPT (0.43) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL880286 0.82 MAPT (0.56) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL880298 0.82 ALDH1A1 (0.51) MAPTTP53THRBALDH1A1KDM4E
SCHEMBL14379521 0.71 CA12 (0.49) MAPTTP53ALDH1A1SMN1; SMN2KDM4E
SCHEMBL880429 0.68 SMN1; SMN2 (0.64) MAPTTP53ALDH1A1SMN1; SMN2MAPK1
SCHEMBL13522455 0.67 CYP19A1 (0.43) ALDH1A1KDM4EMAPK1ALDH2CYP19A1
SCHEMBL28218523 0.65 MAPT (0.41) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL7533164 0.63 PLA2G6 (0.56) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL7086096 0.62 HPGD (0.41) MAPTALDH1A1MEN1KMT2AALDH2

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-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 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-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 MAPT 640/4885TP53 3445/4885THRB 3723/4885

“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.