SCHEMBL16922975

SCHEMBL16922975

Brc1ccc2c(c1)C(c1ccc3ccccc3c1)(c1ccc3ccccc3c1)c1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
PDK2 Q15119 1/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM1A O60341 2/20 0.40
RCOR1 Q9UKL0 2/20 0.40
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
PTPRC P08575 1/20 0.35
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL34464583 0.90 MEN1 (0.49) CYP2A6PDK2ESR1ESR2MEN1
SCHEMBL25026532 0.88 HSP90AA1 (0.46) CYP2A6PDK2ESR1ESR2MEN1
SCHEMBL34464558 0.88 CYP2A6 (0.44) CYP2A6PDK2ESR1ESR2MEN1
SCHEMBL30851345 0.87 MEN1 (0.53) CYP2A6ESR1ESR2MEN1KMT2A
SCHEMBL9974968 0.87 MEN1 (0.53) CYP2A6ESR1ESR2MEN1KMT2A
SCHEMBL34464550 0.86 MEN1 (0.47) CYP2A6PDK2ESR1ESR2MEN1
SCHEMBL34464610 0.84 MEN1 (0.46) CYP2A6PDK2ESR1ESR2MEN1
SCHEMBL23713858 0.83 CYP2A6 (0.34) CYP2A6PDK2ESR1ESR2MEN1
SCHEMBL19797296 0.82 PDK2 (0.53) CYP2A6PDK2ESR1ESR2MEN1
SCHEMBL19822248 0.82 PDK2 (0.53) CYP2A6PDK2ESR1ESR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11258018-B2 Compounds and organic electronic devices MERCK PATENT GMBH (DE) 2022-02-22 US disclosed
US-20190348605-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-11-14 US disclosed
US-20170317285-A1 Compounds and Organic Electronic Devices MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
US-20170317285-A1 Compounds and Organic Electronic Devices MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
US-9768391-B2 Derivatives of 2-diarylaminofluorene and organic electronic compounds containing them MERCK PATENT GMBH (DE) 2017-09-19 US disclosed
US-9768391-B2 Derivatives of 2-diarylaminofluorene and organic electronic compounds containing them MERCK PATENT GMBH (DE) 2017-09-19 US disclosed
EP-2875699-B1 DERIVATES OF 2-DIARYLAMINOFLUOREN AND ORGANIC ELECTRONIC DEVICES COMPRISING THE SAME MERCK PATENT GMBH (DE) 2017-02-15 EP disclosed
US-20150207075-A1 DERIVATIVES OF 2-DIARYLAMINOFLUORENE AND ORGANIC ELECTRONIC COMPOUNDS CONTAINING THEM MERCK PATENT GMBH (DE) 2015-07-23 US disclosed
US-20150207075-A1 DERIVATIVES OF 2-DIARYLAMINOFLUORENE AND ORGANIC ELECTRONIC COMPOUNDS CONTAINING THEM MERCK PATENT GMBH (DE) 2015-07-23 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 (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-20150207075-A1 DERIVATIVES OF 2-DIARYLAMINOFLUORENE AND ORGANIC ELECTRONIC COMPOUNDS CONTAINING THEM DDT, AFF2, CYP2F1 CYP2A6 95/4885PDK2 718/4885ESR1 121/4885
US-20190348605-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES ETV6, CYP2C19, AFF2 CYP2A6 127/4885PDK2 1406/4885ESR1 19/4885
US-20170317285-A1 Compounds and Organic Electronic Devices ETV6, CYP2C19, AFF2 CYP2A6 127/4885PDK2 1406/4885ESR1 19/4885
US-11258018-B2 Compounds and organic electronic devices ETV6, CYP2C19, AFF2 CYP2A6 127/4885PDK2 1406/4885ESR1 19/4885

“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.