SCHEMBL16925876

SCHEMBL16925876

Cc1ccc2oc(=O)c3cc(Br)ccc3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.52
▸ CSNK2A2 P19784 1/20 0.51
▸ CSNK2B P67870 1/20 0.51
▸ CSNK2A1 P68400 1/20 0.51
▸ MAPT P10636 3/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ CA9 Q16790 5/20 0.49
▸ CA12 O43570 4/20 0.49
▸ NQO1 P15559 1/20 0.48
▸ MAOB P27338 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ PIM1 P11309 1/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL14163793 0.89 ESR2 (0.54) ESR2CSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL26766495 0.89 ESR2 (0.50) ESR2CSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL12800978 0.84 CSNK2A2 (0.53) CSNK2A2CSNK2BCSNK2A1MAPTCYP3A4
SCHEMBL26768424 0.82 CDC25A (0.48) ESR2CSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL19217398 0.81 CSNK2A2 (0.62) CSNK2A2CSNK2BCSNK2A1MAPTCYP3A4
SCHEMBL23693655 0.80 CSNK2A2 (0.49) CSNK2A2CSNK2BCSNK2A1MAPTCYP3A4
SCHEMBL21756078 0.80 MAPT (0.47) CSNK2A2CSNK2BCSNK2A1MAPTCYP3A4
SCHEMBL16801876 0.80 NPC1 (0.64) MAPTMAPK1CA9CA12PIM1
SCHEMBL16802064 0.80 SMN1; SMN2 (0.64) MAPTCYP3A4MAPK1TP53NQO1
SCHEMBL862799 0.79 PDE2A (0.56) ESR2MAPTCYP3A4MAPK1NQO1

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 10 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-10000694-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-06-19 — — US disclosed
US-10000694-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-06-19 — — US disclosed
EP-3094703-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-02-07 — — EP 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
US-20160326429-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-11-10 — — US disclosed
WO-2016045769-A1 HETEROCYCLIC COMPOUNDS WITH BENZO[C]COUMARIN-STRUCTURES MERCK PATENT GMBH (DE) 2016-03-31 — — WO disclosed
WO-2015106789-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-07-23 — — 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 (4 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-10000694-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM ESR2 366/4885CSNK2A2 4383/4885CSNK2B 4588/4885
US-20170298077-A1 HETEROCYCLIC COMPOUNDS WITH BENZO(C)COUMARIN-STRUCTURES NISCH, SIRT3, NQO1 ESR2 736/4885CSNK2A2 2569/4885CSNK2B 2785/4885
US-20160326429-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM ESR2 366/4885CSNK2A2 4383/4885CSNK2B 4588/4885
US-10377766-B2 Heterocyclic compounds with benzo(c)coumarin-structures NISCH, SIRT3, NQO1 ESR2 736/4885CSNK2A2 2569/4885CSNK2B 2785/4885

“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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