SCHEMBL2970085

SCHEMBL2970085

COc1cc(C(=O)C=Cc2ccc(OCc3ccccc3)cc2OCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.62
PTPN1 P18031 1/20 0.60
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.57
MAOB P27338 1/20 0.56
TNFRSF1A P19438 6/20 0.56
ABCB1 P08183 1/20 0.56
MEN1 O00255 2/20 0.54
POLB P06746 2/20 0.54
KMT2A Q03164 2/20 0.54
PTGER4 P35408 1/20 0.53
PTGER2 P43116 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
PKM P14618 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL13029333 1.00 HDAC8 (0.62) HDAC8PTPN1NPC1RAB9ASMN1; SMN2
SCHEMBL30066572 0.90 MAOB (0.69) HDAC8PTPN1NPC1RAB9ASMN1; SMN2
SCHEMBL30066569 0.90 MAOB (0.69) HDAC8PTPN1NPC1RAB9ASMN1; SMN2
SCHEMBL3046006 0.88 ABCG2 (0.64) HDAC8PTPN1NPC1RAB9ASMN1; SMN2
SCHEMBL13029337 0.88 ABCG2 (0.64) HDAC8PTPN1NPC1RAB9ASMN1; SMN2
SCHEMBL27799480 0.87 HDAC8 (0.73) HDAC8PTPN1NPC1RAB9ASMN1; SMN2
SCHEMBL27799479 0.87 HDAC8 (0.73) HDAC8PTPN1NPC1RAB9ASMN1; SMN2
SCHEMBL5132842 0.85 MAPT (0.75) HDAC8PTPN1NPC1RAB9ASMN1; SMN2
SCHEMBL25301594 0.82 APP (0.70) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL7751094 0.82 HDAC8 (0.62) HDAC8PTPN1NPC1RAB9AALDH1A1

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-20100292175-A1 USE OF HYDROXYFLAVAN DERIVATIVES FOR TASTE MODIFICATION Leibniz-Institut fur Pflanzenbiochemie (DE) 2010-11-18 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-20100292175-A1 USE OF HYDROXYFLAVAN DERIVATIVES FOR TASTE MODIFICATION TAS2R50, TAS2R60, TAS2R30 HDAC8 2183/4885PTPN1 2982/4885NPC1 3006/4885

“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.