SCHEMBL13596107

SCHEMBL13596107

COCc1cc(C(C)=O)c(O)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.66
CYP3A4 P08684 6/20 0.49
HPGD P15428 3/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HMGCR P04035 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PRKCE Q02156 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
USP2 O75604 1/20 0.44
TTR P02766 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 4/20 0.40
RECQL P46063 3/20 0.40

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
SCHEMBL13596109 0.86 CYP3A4 (0.50) HTTCYP3A4HPGDMAPK1ALDH1A1
SCHEMBL29220972 0.83 HTT (0.66) HTTCYP3A4HPGDMAPK1ALDH1A1
SCHEMBL30818285 0.83 HTT (0.66) HTTCYP3A4HPGDMAPK1ALDH1A1
SCHEMBL28652985 0.82 HTT (0.55) HTTCYP3A4HPGDMAPK1ALDH1A1
SCHEMBL48212 0.82 HTT (0.64) HTTCYP3A4HPGDMAPK1ALDH1A1
SCHEMBL13596108 0.81 HTT (0.41) HTTCYP3A4MAPK1ALDH1A1HMGCR
SCHEMBL30398255 0.80 HTT (1.00) HTTCYP3A4HPGDMAPK1ALDH1A1
SCHEMBL3661837 0.80 HTT (1.00) HTTCYP3A4HPGDMAPK1ALDH1A1
SCHEMBL3959266 0.80 HTT (0.60) HTTCYP3A4HPGDALDH1A1HMGCR
SCHEMBL3957202 0.80 HTT (0.69) HTTCYP3A4HPGDHMGCRMEN1

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-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 HTT 3905/4885CYP3A4 157/4885HPGD 3421/4885

“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.