SCHEMBL205534

SCHEMBL205534

O=c1oc2cc(Br)ccc2c2ccc(Br)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.56
▸ ESR2 Q92731 2/20 0.53
▸ MAPT P10636 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ STAT1 P42224 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ PKM P14618 2/20 0.50
▸ ALPL P05186 1/20 0.50
▸ ALPI P09923 1/20 0.50
▸ ESR1 P03372 1/20 0.49
▸ PKLR P30613 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ MAPK1 P28482 1/20 0.46
▸ CA12 O43570 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ LMNA P02545 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
SCHEMBL16797962 0.89 NPSR1 (0.64) PDE2AMAPTKDM4EALDH1A1NPC1
SCHEMBL13070979 0.88 PDE2A (0.49) PDE2AESR2MAPTKDM4EALDH1A1
SCHEMBL26768842 0.88 PDE2A (0.77) PDE2AESR2MAPTKDM4EALDH1A1
SCHEMBL26766495 0.88 ESR2 (0.50) PDE2AESR2MAPTKDM4EALDH1A1
SCHEMBL12658735 0.88 PDE2A (0.49) PDE2AESR2MAPTKDM4EALDH1A1
SCHEMBL14163793 0.88 ESR2 (0.54) PDE2AESR2MAPTKDM4EALDH1A1
SCHEMBL15388144 0.88 PDE2A (0.77) PDE2AESR2MAPTKDM4EALDH1A1
SCHEMBL29853658 0.88 PDE2A (0.77) PDE2AESR2MAPTKDM4EALDH1A1
SCHEMBL15159992 0.87 ESR2 (0.59) PDE2AESR2MAPTKDM4EALDH1A1
SCHEMBL10357156 0.87 NPSR1 (0.53) PDE2AESR2MAPTKDM4EALDH1A1

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 93 patents — showing the first 20. 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
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 — — 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
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 — — US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 — — EP disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 — — EP 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-20100256396-A1 AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-07 — — US disclosed
CN-101624441-A Preparation method and application method of 4-9, 9-diaryl fluorene polymer material containing substituted radical UNIV NANJING POSTS & TELECOMM 2010-01-13 — — CN disclosed
US-20080138651-A1 Polyanilines; strong fluorescence and large charge transporting properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-06-12 — — US disclosed
US-20080138651-A1 Polyanilines; strong fluorescence and large charge transporting properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-06-12 — — US disclosed
US-20080003422-A1 Polymer Compound, Polymer Thin Film and Polymer Thin Film Device Using the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-01-03 — — US disclosed
US-20080003422-A1 Polymer Compound, Polymer Thin Film and Polymer Thin Film Device Using the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-01-03 — — US disclosed
US-20070063190-A1 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-22 — — US disclosed
US-20070063190-A1 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-22 — — US disclosed
US-20070051922-A1 Polymer light-emitting material and polymer light-emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-08 — — US disclosed
US-20070051922-A1 Polymer light-emitting material and polymer light-emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-08 — — 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 (6 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 PDE2A 3717/4885ESR2 366/4885MAPT 550/4885
US-20170298077-A1 HETEROCYCLIC COMPOUNDS WITH BENZO(C)COUMARIN-STRUCTURES NISCH, SIRT3, NQO1 PDE2A 3634/4885ESR2 736/4885MAPT 2417/4885
US-20100256396-A1 AROMATIC COMPOUND AHR, AR, NR0B1 PDE2A 4583/4885ESR2 239/4885MAPT 3037/4885
US-20080138651-A1 Polyanilines; strong fluorescence and large charge transporting properties BRS3, SLC43A1, MRPS23 PDE2A 4505/4885ESR2 903/4885MAPT 4058/4885
US-20070063190-A1 Aromatic compound AHR, AR, NR0B1 PDE2A 4612/4885ESR2 241/4885MAPT 3119/4885
US-10377766-B2 Heterocyclic compounds with benzo(c)coumarin-structures NISCH, SIRT3, NQO1 PDE2A 3634/4885ESR2 736/4885MAPT 2417/4885

“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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