SCHEMBL22735145

SCHEMBL22735145

CC(C)(C)C(=O)OC(=O)/C=C/c1cnn(C2CCCCO2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ CYP4F2 P78329 2/20 0.32
▸ CYP4A11 Q02928 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ FLT3 P36888 2/20 0.31
▸ SYK P43405 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ FGFR1 P11362 2/20 0.31
▸ FGFR2 P21802 1/20 0.31
▸ FGFR4 P22455 1/20 0.31
▸ FGFR3 P22607 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ DDR2 Q16832 1/20 0.30
▸ RXRA P19793 1/20 0.30
▸ RXRB P28702 1/20 0.30
▸ RXRG P48443 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
SCHEMBL21334944 0.86 KDM5B (0.37) KDM5BMGLLCYP4F2CYP4A11NPC1
SCHEMBL21334896 0.83 NPC1 (0.49) KDM5BMGLLCYP4F2CYP4A11NPC1
SCHEMBL21039934 0.82 NPC1 (0.36) NPC1RAB9ALMNA
SCHEMBL20519313 0.81 NPC1 (0.43) KDM5BMGLLCYP4F2CYP4A11NPC1
SCHEMBL20524397 0.81 NPC1 (0.43) KDM5BMGLLCYP4F2CYP4A11NPC1
SCHEMBL22734866 0.76 HDAC1 (0.45) NPC1RAB9ALMNA
SCHEMBL21041289 0.74 GAA (0.36) CYP4F2CYP4A11
SCHEMBL1144773 0.73 LMNA (0.41) KDM5BCYP4F2CYP4A11LMNAFLT3
SCHEMBL29465140 0.71 CYP4F2 (0.42) KDM5BCYP4F2CYP4A11FLT3SYK
SCHEMBL22713057 0.71 ALDH1A1 (0.44) KDM5BNPC1RAB9ALMNAMCL1

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 2 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

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 KDM5B 852/4885MGLL 3180/4885CYP4F2 3255/4885
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF THPO, PIR, PAK6 KDM5B 978/4885MGLL 2056/4885CYP4F2 2378/4885

“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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