SCHEMBL13701741

SCHEMBL13701741

CC(C)Oc1cccc(C(=O)NC(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.60
ALDH1A1 P00352 6/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KAT6A Q92794 2/20 0.54
ALOX12 P18054 2/20 0.54
KMT2A Q03164 7/20 0.53
MEN1 O00255 5/20 0.53
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
GAA P10253 2/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 1/20 0.50
CCR6 P51684 1/20 0.50
ANO1 Q5XXA6 1/20 0.48

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
SCHEMBL8541406 0.84 NPC1 (0.64) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10197594 0.83 LMNA (0.58) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19605409 0.82 HDAC8 (0.63) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8387420 0.82 MEN1 (0.59) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13342147 0.81 HDAC8 (0.67) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL21249304 0.81 LMNA (0.58) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13701782 0.81 NPSR1 (0.60) LMNANPC1RAB9AKMT2AHSD17B10
SCHEMBL13701706 0.80 TAS1R3 (0.56) LMNAALDH1A1NPC1RAB9AKAT6A
SCHEMBL12133228 0.80 LMNA (0.82) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30184136 0.79 NPC1 (0.56) LMNAALDH1A1NPC1RAB9ASMN1; SMN2

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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX LMNA 1843/4885ALDH1A1 376/4885NPC1 1477/4885

“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.