SCHEMBL6401607

SCHEMBL6401607

CC(C)c1cc(CNC(=O)C2CCCCC2)on1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.57
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SLC5A7 Q9GZV3 9/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL6403203 0.82 EPHX2 (0.61) EPHX2ALDH1A1LMNAMEN1KMT2A
SCHEMBL6410506 0.79 HPGD (0.46) EPHX2ALDH1A1NPC1RAB9AHPGD
SCHEMBL6409920 0.77 ALDH1A1 (0.59) EPHX2ALDH1A1LMNANPC1RAB9A
SCHEMBL6404231 0.76 POLB (0.52) EPHX2ALDH1A1LMNAMEN1KMT2A
SCHEMBL15470638 0.74 EPHX2 (0.56) EPHX2ALDH1A1LMNASLC5A7NPC1
SCHEMBL19263071 0.74 LMNA (0.41) EPHX2LMNAMEN1KMT2ARAB9A
SCHEMBL6407634 0.74 POLB (0.53) EPHX2ALDH1A1LMNAMEN1KMT2A
SCHEMBL19263024 0.74 EPHX2 (0.60) EPHX2ALDH1A1LMNANPC1RAB9A
SCHEMBL19263070 0.73 ALDH1A1 (0.51) ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL19263069 0.72 POLB (0.51) EPHX2ALDH1A1LMNAMEN1KMT2A

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-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide SDS BIOTECH K.K. (JP) 2005-08-04 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-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide AHR, ERG28, CYP1A2 EPHX2 2961/4885ALDH1A1 1486/4885LMNA 3019/4885

“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.