SCHEMBL17816646

SCHEMBL17816646

Brc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
OPRK1 P41145 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PDK2 Q15119 1/20 0.39
S100A4 P26447 1/20 0.38
MAPK1 P28482 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CFTR P13569 1/20 0.36
GOPC Q9HD26 1/20 0.36

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
SCHEMBL283196 0.98 MEN1 (0.59) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL29506706 0.98 MEN1 (0.59) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL28135141 0.94 MEN1 (0.63) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL30288909 0.94 MEN1 (0.63) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL105865 0.94 MEN1 (0.63) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL31358608 0.92 SMN1; SMN2 (0.53) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL1783501 0.92 SMN1; SMN2 (0.53) MEN1KMT2ALMNAKDM4EMAPT
Bromobenzene SCHEMBL28161677 0.92 MEN1 (0.55) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL21763155 0.89 MEN1 (0.50) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL19735703 0.89 MEN1 (0.50) MEN1KMT2ALMNAKDM4EMAPT

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-3227269-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
US-10573818-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-02-25 US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
WO-2016087017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-06-09 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-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, LEF1, EFNA1 MEN1 472/4885KMT2A 2805/4885LMNA 2221/4885
US-10573818-B2 Materials for organic electroluminescent devices PIEZO1, LEF1, EFNA1 MEN1 472/4885KMT2A 2805/4885LMNA 2221/4885

“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.