SCHEMBL17637792

SCHEMBL17637792

COc1ccc2c(c1)c(=O)oc1ccc(O)cc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.81
KDM4E B2RXH2 7/20 0.68
ALDH1A1 P00352 6/20 0.68
NPC1 O15118 4/20 0.68
POLB P06746 3/20 0.68
RAB9A P51151 3/20 0.68
STAT1 P42224 1/20 0.68
PDE2A O00408 1/20 0.59
ESR2 Q92731 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ESR1 P03372 1/20 0.59
APEX1 P27695 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
NQO1 P15559 2/20 0.58
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
HPGD P15428 5/20 0.56
TP53 P04637 3/20 0.56

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
SCHEMBL803412 0.90 MAPT (1.00) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL26780124 0.90 MAPT (0.89) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL29853434 0.90 MAPT (1.00) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL29853647 0.90 MAPT (0.89) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL29853686 0.81 KDM4E (1.00) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL18880260 0.81 KDM4E (1.00) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL29853560 0.81 KDM4E (0.79) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL26767762 0.81 KDM4E (0.79) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL26768169 0.80 MAPT (0.79) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL29853618 0.79 KDM4E (0.67) MAPTKDM4EALDH1A1NPC1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197887-B1 HETEROCYCLIC COMPOUNDS WITH BENZO[C]COUMARIN-STRUCTURES MERCK PATENT GMBH (DE) 2020-09-23 EP disclosed
US-10377766-B2 Heterocyclic compounds with benzo(c)coumarin-structures MERCK PATENT GMBH (DE) 2019-08-13 US disclosed
US-20170298077-A1 HETEROCYCLIC COMPOUNDS WITH BENZO(C)COUMARIN-STRUCTURES MERCK PATENT GMBH (DE) 2017-10-19 US disclosed
US-20170298077-A1 HETEROCYCLIC COMPOUNDS WITH BENZO(C)COUMARIN-STRUCTURES MERCK PATENT GMBH (DE) 2017-10-19 US disclosed
WO-2016045769-A1 HETEROCYCLIC COMPOUNDS WITH BENZO[C]COUMARIN-STRUCTURES MERCK PATENT GMBH (DE) 2016-03-31 WO 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 (2 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-20170298077-A1 HETEROCYCLIC COMPOUNDS WITH BENZO(C)COUMARIN-STRUCTURES NISCH, SIRT3, NQO1 MAPT 2417/4885KDM4E 2837/4885ALDH1A1 316/4885
US-10377766-B2 Heterocyclic compounds with benzo(c)coumarin-structures NISCH, SIRT3, NQO1 MAPT 2417/4885KDM4E 2837/4885ALDH1A1 316/4885

“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.