SCHEMBL13484615

SCHEMBL13484615

O=C(O)c1cc(O)c(C(=O)OCI)s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
GPR35 Q9HC97 3/20 0.39
DAO P14920 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
BCL2L1 Q07817 1/20 0.32
SERPINE1 P05121 1/20 0.30
CDC7 O00311 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
DBF4 Q9UBU7 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL577651 0.79 MAPT (0.44) GPR35DAOALDH1A1KDM4EMEN1
SCHEMBL23459994 0.76 GPR35 (0.50) GPR35DAOALDH1A1KDM4EMEN1
SCHEMBL13484580 0.72 GAA (0.45) ALDH1A1MEN1MAPTKMT2ANPC1
SCHEMBL29953733 0.71 GPR35 (0.46) GPR35DAOALDH1A1KDM4EMEN1
SCHEMBL577650 0.69 MAPT (0.45) ALDH1A1KDM4EMAPTKMT2ANPC1
SCHEMBL17203079 0.69 GSK3B (0.52) GSK3BALDH1A1KDM4EMEN1MAPT
SCHEMBL8928677 0.67 KMT2A (0.39) GSK3BALDH1A1KDM4EMEN1MAPT
SCHEMBL30020630 0.66 GPR35 (0.48) GSK3BGPR35DAOALDH1A1KDM4E
SCHEMBL5154649 0.65 GPR35 (0.52) GPR35DAOALDH1A1KDM4EMEN1
SCHEMBL8497895 0.65 NPC1 (0.43) GSK3BDAOALDH1A1KDM4EMEN1

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-20100029752-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FAS SECURED CREDITORS HOLDCO, LLC 2010-02-04 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-20100029752-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME CYP3A7, DHCR7, CYP2A7 GSK3B 4555/4885GPR35 25/4885DAO 2649/4885

“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.