SCHEMBL4254702

SCHEMBL4254702

COC(=O)[C@]1(C)OC[C@@H](c2ccc(OCc3nc4ccccc4c(=O)n3C)cc2)CO1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PPARG P37231 1/20 0.51
ACKR3 P25106 5/20 0.45
PDE10A Q9Y233 1/20 0.45
NPC1 O15118 3/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.40
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4250885 1.00 KDM4E (0.55) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL4244806 0.92 KDM4E (0.58) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL4244821 0.92 KDM4E (0.58) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL4250994 0.92 KDM4E (0.58) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL4246945 0.89 PPARG (0.59) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL4247217 0.81 ADAM17 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4250294 0.81 ADAM17 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4254499 0.80 PPARG (0.62) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL4251659 0.77 PPARG (0.58) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL4251004 0.74 RAB9A (0.44) L3MBTL1PPARGRAB9AMAPT

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-20090012069-A1 Novel Antidiabetic Compounds CADILA HEALTHCARE LIMITED (IN) 2009-01-08 US claimed

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-20090012069-A1 Novel Antidiabetic Compounds GPR119, SLC5A1, SLC5A2 KDM4E 3658/4885ALOX15 1833/4885TSHR 1445/4885

“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.