SCHEMBL22713057

SCHEMBL22713057

O=C1C=CCCN1C(=O)C=Cc1cnn(C2CCCCO2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ PSMB11 A5LHX3 1/20 0.44
▸ PSMA7 O14818 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ FOXO3 O43524 1/20 0.44
▸ MITF O75030 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PSMB1 P20618 1/20 0.44
▸ PSMA1 P25786 1/20 0.44
▸ PSMA2 P25787 1/20 0.44
▸ PSMA3 P25788 1/20 0.44
▸ PSMA4 P25789 1/20 0.44
▸ PSMB8 P28062 1/20 0.44
▸ PSMB9 P28065 1/20 0.44

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
SCHEMBL21001991 1.00 ALDH1A1 (0.44) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL21001970 0.83 LMNA (0.50) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL22713063 0.83 LMNA (0.50) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL20519313 0.79 NPC1 (0.43) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL20524397 0.79 NPC1 (0.43) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL21001906 0.76 SMN1; SMN2 (0.57) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL21002518 0.76 SMN1; SMN2 (0.57) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL21041290 0.76 ALDH1A1 (0.41) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL21334944 0.75 KDM5B (0.37) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL21334896 0.74 NPC1 (0.49) ALDH1A1LMNANPC1CYP3A4RAB9A

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-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-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 — — 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 (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.

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