SCHEMBL12301477

SCHEMBL12301477

BCC(=O)c1c(O)cc(OC)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.65
USP2 O75604 2/20 0.65
MAPK1 P28482 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
ABCG2 Q9UNQ0 5/20 0.52
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
DPP4 P27487 1/20 0.50
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 2/20 0.49
ATM Q13315 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 2/20 0.48

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
SCHEMBL30506419 0.85 CYP3A4 (0.67) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL21275479 0.85 CYP3A4 (0.67) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL2874467 0.85 CYP3A4 (0.67) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL30002388 0.85 CYP3A4 (0.67) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL11105157 0.83 CYP3A4 (0.65) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL7901522 0.83 CYP3A4 (0.65) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL7192880 0.82 CYP3A4 (0.63) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL28047701 0.81 CYP3A4 (0.61) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL28370780 0.80 CYP3A4 (0.76) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL25304726 0.80 CYP3A4 (0.59) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6

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-20110230486-A1 Modulators Of HEC1 Activity And Methods Therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2011-09-22 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-20110230486-A1 Modulators Of HEC1 Activity And Methods Therefor WEE1, WEE2, NEK11 CYP3A4 3834/4885USP2 1309/4885MAPK1 1584/4885

“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.