SCHEMBL2688835

SCHEMBL2688835

C/C=C\C1CCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.42
EPHX1 P07099 1/20 0.40
PREP P48147 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE8B O95263 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL2688839 1.00 HSD17B10 (0.43) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL3612669 0.95 HSD17B10 (0.47) HSD17B10HPGDEPHX1SMN1; SMN2NPC1
SCHEMBL5848851 0.95 HSD17B10 (0.47) HSD17B10HPGDEPHX1SMN1; SMN2NPC1
SCHEMBL3592625 0.95 HSD17B10 (0.47) HSD17B10HPGDEPHX1SMN1; SMN2NPC1
SCHEMBL3604748 0.95 HSD17B10 (0.47) HSD17B10HPGDEPHX1SMN1; SMN2NPC1
SCHEMBL3612674 0.95 HSD17B10 (0.47) HSD17B10HPGDEPHX1SMN1; SMN2NPC1
SCHEMBL19958804 0.95 HSD17B10 (0.47) HSD17B10HPGDEPHX1SMN1; SMN2NPC1
SCHEMBL5940026 0.85 HSD17B10 (0.44) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL5940033 0.85 HSD17B10 (0.44) HSD17B10HPGDEPHX1PREPSMN1; SMN2
SCHEMBL2896341 0.84 HSD17B10 (0.45) HSD17B10HPGDEPHX1PREPSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168657-B2 administering a solenopsin derivative such as 2-methyl-6-(2-phenylethyl)piperidine or other piperidine derivatives to treat a tumor or cancer in a patient BOWEN J PHILLIP (US) 2012-05-01 US disclosed
US-20050038071-A1 Solenopsin a, b and analogs and as novel angiogenesis inhibitors BOWEN J PHILLIP (US) 2005-02-17 US disclosed
US-6369078-B1 Solenopsin derivatives and analogues as fire ant suppressants BOWEN J PHILLIP (US) 2002-04-09 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-20050038071-A1 Solenopsin a, b and analogs and as novel angiogenesis inhibitors VEGFA, TEK, FLT1 HSD17B10 140/4885HPGD 117/4885EPHX1 533/4885

“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.