SCHEMBL20329616

SCHEMBL20329616

COc1ccc2cc3oc4ccc(OC)cc4c(=O)c3cc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.78
ALDH1A1 P00352 6/20 0.78
NPC1 O15118 5/20 0.78
HPGD P15428 5/20 0.78
RAB9A P51151 4/20 0.78
MAPT P10636 4/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
CASP3 P42574 1/20 0.78
SENP8 Q96LD8 1/20 0.78
SENP7 Q9BQF6 1/20 0.78
SENP6 Q9GZR1 1/20 0.78
MAOA P21397 2/20 0.68
CYP2A6 P11509 1/20 0.55
HSD17B10 Q99714 4/20 0.53
MAPK1 P28482 1/20 0.52
RAD52 P43351 1/20 0.52
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 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
SCHEMBL20329731 1.00 KDM4E (0.78) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL20317282 0.91 KDM4E (0.69) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL20317284 0.91 KDM4E (0.69) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL20317207 0.91 NPC1 (0.78) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL20329733 0.91 NPC1 (0.68) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL20329619 0.91 NPC1 (0.68) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL20329630 0.90 ALDH1A1 (0.63) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL20317339 0.90 ALDH1A1 (0.68) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL20329624 0.90 MAOA (0.76) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL20329625 0.90 MAOA (0.76) KDM4EALDH1A1NPC1HPGDRAB9A

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 KDM4E 2074/4885ALDH1A1 1200/4885NPC1 347/4885

“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.