SCHEMBL17637664

SCHEMBL17637664

O=c1oc2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2c2ccc(-c3ccc4ccc5ccccc5c4c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD11B1 P28845 1/20 0.45
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 6/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
PTGES O14684 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
LMNA P02545 1/20 0.43
PGR P06401 1/20 0.42

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
SCHEMBL17637819 0.86 PLA2G2A (0.54) L3MBTL1NPSR1RXFP1TDP1ALDH1A1
SCHEMBL17637837 0.85 PLA2G2A (0.51) L3MBTL1NPSR1RXFP1ALDH1A1KDM4E
SCHEMBL19472177 0.84 NPSR1 (0.42) L3MBTL1NPSR1RXFP1HSD11B1ALDH1A1
SCHEMBL16858264 0.82 PLA2G2A (0.56) L3MBTL1NPSR1RXFP1TDP1ALDH1A1
SCHEMBL17229102 0.81 AHR (0.47) L3MBTL1TDP1ALDH1A1KDM4EMAPT
SCHEMBL13563003 0.80 CYP1A1 (0.48) TDP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL19472172 0.80 NPSR1 (0.43) L3MBTL1NPSR1RXFP1HSD11B1ALDH1A1
SCHEMBL17637665 0.79 NPSR1 (0.64) L3MBTL1NPSR1RXFP1ALDH1A1KDM4E
SCHEMBL17637845 0.79 CYP1A1 (0.48) TDP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL17637833 0.79 HCRTR1 (0.44) L3MBTL1NPSR1RXFP1TDP1ALDH1A1

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 L3MBTL1 3462/4885NPSR1 2494/4885RXFP1 4685/4885
US-10377766-B2 Heterocyclic compounds with benzo(c)coumarin-structures NISCH, SIRT3, NQO1 L3MBTL1 3462/4885NPSR1 2494/4885RXFP1 4685/4885

“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.