SCHEMBL21040534

SCHEMBL21040534

CC(C)(C)OC(=O)N1CCC(/C=C/C(=O)N2CCCC=CC2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.39
GPR119 Q8TDV5 6/20 0.38
EPHX1 P07099 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
PSMB11 A5LHX3 1/20 0.38
PSMA7 O14818 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
SCHEMBL21039207 0.94 ALDH1A1 (0.43) MAPTKDM4ETHRBHPGDGPR119
SCHEMBL21039247 0.80 MAPT (0.39) MAPTKDM4ETHRBHPGDGPR119
SCHEMBL21002218 0.77 ALDH1A1 (0.40) MAPTALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL21002220 0.77 ALDH1A1 (0.40) MAPTALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL21039215 0.77 ALDH1A1 (0.46) MAPTALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL22713067 0.77 ALDH1A1 (0.46) MAPTALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL21002060 0.76 ALDH1A1 (0.44) MAPTALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL21002059 0.76 ALDH1A1 (0.44) MAPTALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL21039170 0.75 ALDH1A1 (0.49) MAPTALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL22713020 0.75 ALDH1A1 (0.49) MAPTALDH1A1TP53SMN1; SMN2NPC1

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-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2021-07-01 US disclosed
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 US disclosed
WO-2019103897-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. (US) 2019-05-31 WO 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 (2 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-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF SHARPIN, PIR, THPO MAPT 2707/4885KDM4E 657/4885THRB 3507/4885
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF THPO, PIR, PAK6 MAPT 2532/4885KDM4E 636/4885THRB 4090/4885

“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.