SCHEMBL13701693

SCHEMBL13701693

CC(C)(C)NC(=O)c1cccc(C2=CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.55
ACMSD Q8TDX5 2/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC3 O15379 2/20 0.43
LMNA P02545 3/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM1A O60341 1/20 0.40
KMT2A Q03164 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
S100B P04271 1/20 0.38

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
SCHEMBL11675977 0.80 SERPINE1 (0.52) SERPINE1ACMSDHDAC1HDAC2HDAC3
SCHEMBL417671 0.79 SERPINE1 (0.59) SERPINE1ACMSDHDAC1HDAC2HDAC3
SCHEMBL31554955 0.79 SERPINE1 (0.59) SERPINE1ACMSDHDAC1HDAC2HDAC3
SCHEMBL13701695 0.75 HDAC8 (0.64) LMNASMN1; SMN2S100B
SCHEMBL21249304 0.74 LMNA (0.58) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13701654 0.74 RXRA (0.59) LMNANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL13701631 0.74 HDAC8 (0.54) LMNANPC1RAB9AALDH1A1KMT2A
SCHEMBL6051820 0.74 ACMSD (0.56) SERPINE1ACMSDLMNAALDH1A1HPGD
SCHEMBL13701677 0.73 KDM4E (0.50) LMNANPC1RAB9AALDH1A1KMT2A
SCHEMBL13701672 0.73 PLAU (0.48) LMNACYP2C19S100B

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 2 patents. 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
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 SERPINE1 228/4885ACMSD 3096/4885HDAC1 1438/4885

“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.