SCHEMBL22713006

SCHEMBL22713006

Cc1nn(C2CCCCO2)c(C)c1/C=C/C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ POLQ O75417 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL21041292 0.84 GAA (0.38) GAAALDH1A1L3MBTL1SMN1; SMN2CYP4F2
SCHEMBL21041289 0.82 GAA (0.36) GAAALDH1A1CYP4F2CYP4A11
SCHEMBL21041290 0.78 ALDH1A1 (0.41) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL22713059 0.78 ALDH1A1 (0.41) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25392850 0.75 KDM4E (0.38) GAAALDH1A1CYP4F2CYP4A11RXRA
SCHEMBL21152701 0.74 GAA (0.51) GAAALDH1A1CYP4F2CYP4A11RXRA
SCHEMBL21002088 0.72 GAA (0.49) GAAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL17675453 0.72 GAA (0.49) GAAALDH1A1CYP4F2CYP4A11RXRA
SCHEMBL25389805 0.71 GAA (0.46) GAAALDH1A1CYP4F2CYP4A11RXRA
SCHEMBL20517556 0.71 CYP4F2 (0.46) ALDH1A1CYP4F2CYP4A11RXRARXRB

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 5 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-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

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 GAA 4378/4885ALDH1A1 421/4885L3MBTL1 4478/4885
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF THPO, PIR, PAK6 GAA 3618/4885ALDH1A1 228/4885L3MBTL1 4200/4885
US-11485725-B2 Derivatives of piperlongumine and uses thereof PIR, THPO, DHPS GAA 3848/4885ALDH1A1 251/4885L3MBTL1 4412/4885

“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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