SCHEMBL20329619

SCHEMBL20329619

COc1ccc2cc3oc4cc(OC)ccc4c(=O)c3cc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
MAOA P21397 3/20 0.68
ALDH1A1 P00352 8/20 0.63
KDM4E B2RXH2 7/20 0.63
HPGD P15428 5/20 0.63
MAPT P10636 5/20 0.63
CASP3 P42574 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
POLB P06746 1/20 0.54
STAT1 P42224 1/20 0.54
HSD17B10 Q99714 4/20 0.53
CA1 P00915 3/20 0.53
CA12 O43570 1/20 0.53

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
SCHEMBL20329733 1.00 NPC1 (0.68) NPC1RAB9AMAOAALDH1A1KDM4E
SCHEMBL20317285 0.91 NPC1 (0.61) NPC1RAB9AMAOAALDH1A1KDM4E
SCHEMBL20317272 0.91 NPC1 (0.61) NPC1RAB9AMAOAALDH1A1KDM4E
SCHEMBL20329616 0.91 KDM4E (0.78) NPC1RAB9AMAOAALDH1A1KDM4E
SCHEMBL20329731 0.91 KDM4E (0.78) NPC1RAB9AMAOAALDH1A1KDM4E
SCHEMBL20317211 0.91 NPC1 (0.77) NPC1RAB9AMAOAALDH1A1KDM4E
SCHEMBL20329669 0.90 MAOA (0.56) NPC1RAB9AMAOAALDH1A1KDM4E
SCHEMBL20317336 0.90 MAOA (0.59) NPC1RAB9AMAOAALDH1A1KDM4E
SCHEMBL20329624 0.90 MAOA (0.76) NPC1RAB9AMAOAALDH1A1KDM4E
SCHEMBL20329625 0.90 MAOA (0.76) NPC1RAB9AMAOAALDH1A1KDM4E

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 3885/4885MAOA 408/4885

“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.