SCHEMBL21039170

SCHEMBL21039170

O=C1C=CCCN1C(=O)/C=C/C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
HIF1A Q16665 1/20 0.49
PSMB11 A5LHX3 1/20 0.49
PSMA7 O14818 1/20 0.49
NPC1 O15118 1/20 0.49
FOXO3 O43524 1/20 0.49
MITF O75030 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
PSMB1 P20618 1/20 0.49
PSMA1 P25786 1/20 0.49
PSMA2 P25787 1/20 0.49
PSMA3 P25788 1/20 0.49
PSMA4 P25789 1/20 0.49
PSMB8 P28062 1/20 0.49
PSMB9 P28065 1/20 0.49

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
SCHEMBL22713020 1.00 ALDH1A1 (0.49) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL21040480 0.93 ALDH1A1 (0.46) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL22713010 0.93 ALDH1A1 (0.46) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL21001988 0.90 ALDH1A1 (0.47) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL21001962 0.90 ALDH1A1 (0.47) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL22713024 0.90 ALDH1A1 (0.47) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL21002144 0.90 ALDH1A1 (0.47) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL21002013 0.90 ALDH1A1 (0.44) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL21002060 0.89 ALDH1A1 (0.44) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL21002059 0.89 ALDH1A1 (0.44) ALDH1A1TP53SMN1; SMN2LMNACYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 US claimed
US-11485725-B2 Derivatives of piperlongumine and uses thereof AURANSA INC. (US) 2022-11-01 US disclosed
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2021-07-01 US disclosed
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
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 (3 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 ALDH1A1 421/4885TP53 1020/4885SMN1; SMN2 4475/4885
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF THPO, PIR, PAK6 ALDH1A1 228/4885TP53 148/4885SMN1; SMN2 4277/4885
US-11485725-B2 Derivatives of piperlongumine and uses thereof PIR, THPO, DHPS ALDH1A1 251/4885TP53 172/4885SMN1; SMN2 4366/4885

“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.