SCHEMBL15032473

SCHEMBL15032473

COc1ccc(CO[C@@H]2CCC(=O)[C@@H](O)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.46
MAPK1 P28482 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
IDO1 P14902 1/20 0.38
AGXT P21549 1/20 0.38
TACR1 P25103 1/20 0.38
HTT P42858 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4156986 0.76 NAAA (0.46) NAAASIGMAR1IDO1AGXT
SCHEMBL18287587 0.76 NAAA (0.37) NAAAMAPK1SIGMAR1IDO1AGXT
SCHEMBL18615761 0.73 NAAA (0.54) NAAAIDO1AGXTKDM4E
SCHEMBL24228464 0.72 NAAA (0.45) NAAAHTTKDM4EMAPTNPC1
SCHEMBL24620048 0.71 NAAA (0.47) NAAASIGMAR1IDO1AGXT
SCHEMBL18855492 0.71 NAAA (0.47) NAAAIDO1AGXTTACR1
SCHEMBL22454181 0.71 NAAA (0.56) NAAAIDO1AGXTHTTKDM4E
SCHEMBL22006160 0.71 REN (0.44) NAAAMAPK1SIGMAR1IDO1AGXT
SCHEMBL17803300 0.71 REN (0.44) NAAAMAPK1SIGMAR1IDO1AGXT
SCHEMBL16685531 0.71 NAAA (0.49) NAAAIDO1AGXTHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150314-A1 TRIOXACARCINS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-06-13 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 (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-20130150314-A1 TRIOXACARCINS AND USES THEREOF PCSK9, PCSK7, ABCC9 NAAA 1790/4885MAPK1 4393/4885SIGMAR1 3005/4885

“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.