SCHEMBL21040481

SCHEMBL21040481

CC(C)(C)C(=O)OC(=O)/C=C/c1cnc2ccccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.70
KMT2A Q03164 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
RAB9A P51151 4/20 0.61
ALDH1A1 P00352 4/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PPARA Q07869 1/20 0.47
CYP3A4 P08684 2/20 0.41
MGAM O43451 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40

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
SCHEMBL21001881 0.88 KDM4E (0.79) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL30487516 0.85 KDM4E (0.74) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL6070391 0.85 KDM4E (0.74) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL29733054 0.85 KDM4E (0.74) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL6070393 0.85 KDM4E (0.74) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL5503755 0.83 RAB9A (0.69) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL6070375 0.83 KDM4E (1.00) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL6070374 0.83 KDM4E (1.00) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL5503758 0.83 RAB9A (0.69) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL21001883 0.82 KDM4E (0.70) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1

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 KDM4E 657/4885KMT2A 2446/4885SMN1; SMN2 4475/4885
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF THPO, PIR, PAK6 KDM4E 636/4885KMT2A 2507/4885SMN1; SMN2 4277/4885

“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.