SCHEMBL21040574

SCHEMBL21040574

C/C(=C/c1ncccn1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.52
APEX1 P27695 10/20 0.43
TBXAS1 P24557 6/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
NR4A2 P43354 1/20 0.39
RXRG P48443 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
AGER Q15109 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL21002161 1.00 AKR1C3 (0.52) AKR1C3APEX1TBXAS1RXRARXRB
SCHEMBL21001877 1.00 AKR1C3 (0.52) AKR1C3APEX1TBXAS1RXRARXRB
SCHEMBL27077555 0.81 ALDH1A1 (0.36) AKR1C3ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL641498 0.81 AKR1C3 (0.45) AKR1C3APEX1TBXAS1RXRARXRB
SCHEMBL17368451 0.79 AKR1C3 (0.44) AKR1C3APEX1TBXAS1RXRARXRB
SCHEMBL21001976 0.79 ALDH1A1 (0.35) AKR1C3ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL12649144 0.77 TDP1 (0.34) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL2752344 0.76 AKR1C3 (0.55) AKR1C3APEX1RXRARXRBNR4A2
SCHEMBL2752341 0.76 AKR1C3 (0.55) AKR1C3APEX1RXRARXRBNR4A2
SCHEMBL26932705 0.74 KDM4E (0.36) ALDH1A1KDM4ECYP3A4MAPTALOX15

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-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 (1 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 AKR1C3 1248/4885APEX1 2256/4885TBXAS1 801/4885

“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.