SCHEMBL20317343

SCHEMBL20317343

COc1ccc2oc3cc4ccc5c(c4cc3c(=O)c2c1)OCO5

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ MAPT P10636 4/20 0.58
▸ HPGD P15428 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ CASP3 P42574 1/20 0.58
▸ SENP8 Q96LD8 1/20 0.58
▸ SENP7 Q9BQF6 1/20 0.58
▸ SENP6 Q9GZR1 1/20 0.58
▸ MAOA P21397 2/20 0.52
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ RAD52 P43351 1/20 0.43

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
SCHEMBL20317344 0.93 CYP3A4 (0.53) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL20317303 0.82 ALDH1A1 (0.44) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL20317347 0.82 KMT2A (0.41) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL20317280 0.82 MAOA (0.47) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL20317316 0.81 KDM4E (0.38) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL20349968 0.80 ALDH1A1 (0.58) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL20317340 0.80 MAOA (0.51) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL20317351 0.79 TBK1 (0.41) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL20317341 0.79 MAOA (0.53) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL20329616 0.78 KDM4E (0.78) NPC1RAB9AKDM4EALDH1A1MAPT

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 2 patents. 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
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 3885/4885KDM4E 2074/4885

“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.

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