SCHEMBL20329634

SCHEMBL20329634

COC(=O)c1ccc2cc3c(=O)c4ccccc4oc3cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 6/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
MAOA P21397 6/20 0.52
TTR P02766 2/20 0.52
TNKS O95271 1/20 0.51
CYP2C9 P11712 2/20 0.45
TBK1 Q9UHD2 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
PGAM1 P18669 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL20329635 1.00 NPC1 (0.54) NPC1RAB9AKMT2AMEN1MAOA
SCHEMBL20317216 0.88 TTR (0.52) NPC1RAB9AKMT2AMEN1MAOA
SCHEMBL20317213 0.88 NPC1 (0.55) NPC1RAB9AKMT2AMEN1MAOA
SCHEMBL490247 0.87 TTR (0.68) NPC1RAB9AKMT2AMEN1MAOA
SCHEMBL11319692 0.87 NPC1 (0.71) NPC1RAB9AKMT2AMEN1MAOA
SCHEMBL20350012 0.82 NPC1 (0.51) NPC1RAB9AKMT2AMEN1MAOA
SCHEMBL20350005 0.81 NPC1 (0.56) NPC1RAB9AKMT2AMEN1MAOA
SCHEMBL20329625 0.80 MAOA (0.76) NPC1RAB9AKMT2AMEN1MAOA
SCHEMBL20329624 0.80 MAOA (0.76) NPC1RAB9AKMT2AMEN1MAOA
SCHEMBL11319698 0.80 KDM4E (0.56) NPC1RAB9AKMT2AMEN1MAOA

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 NPC1 347/4885RAB9A 3885/4885KMT2A 1775/4885

“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.