SCHEMBL20329624

SCHEMBL20329624

COc1ccc2cc3c(=O)c4ccccc4oc3cc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.76
NPC1 O15118 4/20 0.76
RAB9A P51151 3/20 0.76
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
KDM4E B2RXH2 7/20 0.62
ALDH1A1 P00352 6/20 0.62
MAPT P10636 6/20 0.62
HPGD P15428 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
CASP3 P42574 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 1/20 0.54
CYP3A4 P08684 4/20 0.51
HSD17B10 Q99714 3/20 0.51
GLA P06280 1/20 0.51
PGAM1 P18669 1/20 0.51

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
SCHEMBL20329625 1.00 MAOA (0.76) MAOANPC1RAB9AMEN1KMT2A
SCHEMBL20329731 0.90 KDM4E (0.78) MAOANPC1RAB9AMEN1KMT2A
SCHEMBL20329619 0.90 NPC1 (0.68) MAOANPC1RAB9AMEN1KMT2A
SCHEMBL20329733 0.90 NPC1 (0.68) MAOANPC1RAB9AMEN1KMT2A
SCHEMBL20329616 0.90 KDM4E (0.78) MAOANPC1RAB9AMEN1KMT2A
SCHEMBL20317211 0.87 NPC1 (0.77) MAOANPC1RAB9AMEN1KMT2A
SCHEMBL20317207 0.87 NPC1 (0.78) MAOANPC1RAB9AMEN1KMT2A
SCHEMBL394209 0.86 MAOA (1.00) MAOANPC1RAB9AMEN1KMT2A
SCHEMBL789950 0.86 MAOA (1.00) MAOANPC1RAB9AMEN1KMT2A
SCHEMBL29958722 0.86 MAOA (1.00) MAOANPC1RAB9AMEN1KMT2A

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-20180179174-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2018-06-28 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-20180179174-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME AHR, NR1H2, NR1H3 MAOA 408/4885NPC1 347/4885RAB9A 3885/4885

“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.