SCHEMBL13596109

SCHEMBL13596109

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.50
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.44
CA9 Q16790 1/20 0.43
KMT2A Q03164 1/20 0.41
PAX8 Q06710 1/20 0.41
PRKCE Q02156 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.39
NR1H4 Q96RI1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.38
HTR2A P28223 1/20 0.38
ADRB2 P07550 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
SCHEMBL13596107 0.86 HTT (0.66) CYP3A4HTTKMT2APRKCERAB9A
SCHEMBL11897974 0.82 CYP3A4 (0.50) CYP3A4HTTTSHRCA9KMT2A
SCHEMBL9417789 0.79 NR1H4 (0.45) HTTLMNANR1H4SMN1; SMN2
SCHEMBL30350316 0.78 CYP3A4 (0.69) CYP3A4HTTTSHRCA9KMT2A
SCHEMBL7457674 0.78 CYP3A4 (0.69) CYP3A4HTTTSHRCA9KMT2A
SCHEMBL9417859 0.78 ALOX5 (0.46) CYP3A4HTTTSHRCA9PAX8
SCHEMBL9417818 0.78 ALOX5 (0.47) CYP3A4HTTTSHRKMT2ANR1H4
SCHEMBL20630769 0.78 HTT (0.68) CYP3A4HTTTSHRCA9KMT2A
SCHEMBL13596110 0.77 PAX8 (0.40) CYP3A4HTTKMT2APAX8PRKCE
SCHEMBL9417878 0.77 ALOX5 (0.52) CYP3A4TSHRHTR2A

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 CYP3A4 157/4885HTT 3905/4885TSHR 247/4885

“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.