SCHEMBL21039906

SCHEMBL21039906

CCOC(=O)/C=C/c1cnn(CC(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
DPP4 P27487 2/20 0.43
TTR P02766 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42
HDAC2 Q92769 3/20 0.42
MAOB P27338 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 1/20 0.39
FDPS P14324 1/20 0.38
MLYCD O95822 1/20 0.38
ALDH1A1 P00352 2/20 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
SCHEMBL21001960 0.87 HDAC2 (0.45) NPC1RAB9AHDAC2LMNASMN1; SMN2
SCHEMBL16852820 0.85 NPC1 (0.62) NPC1RAB9ACA12CA1CA2
SCHEMBL16832089 0.85 NPC1 (0.62) NPC1RAB9ACA12CA1CA2
SCHEMBL20153685 0.83 NPC1 (0.60) NPC1RAB9ACA12CA1CA2
SCHEMBL21039908 0.82 HDAC2 (0.41) NPC1RAB9AHDAC2LMNASMN1; SMN2
SCHEMBL21001963 0.81 HDAC2 (0.41) NPC1RAB9AHDAC2LMNASMN1; SMN2
SCHEMBL29911101 0.81 HDAC2 (0.49) NPC1RAB9AHDAC2LMNASMN1; SMN2
SCHEMBL21001995 0.81 HDAC2 (0.49) NPC1RAB9AHDAC2LMNASMN1; SMN2
SCHEMBL25576865 0.79 MAPT (0.35) NPC1RAB9ACYP2C9HDAC2LMNA
SCHEMBL15768609 0.79 NPC1 (0.55) NPC1RAB9ACA12CA1CA2

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 NPC1 2875/4885RAB9A 2063/4885CA12 4188/4885
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF THPO, PIR, PAK6 NPC1 868/4885RAB9A 1941/4885CA12 4731/4885

“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.