SCHEMBL17264183

SCHEMBL17264183

Cc1cc2c(c3ccccc13)-c1ccc(Br)cc1C2(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CYP1A2 P05177 1/20 0.31
PTPRC P08575 1/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL15505860 0.87 PDK2 (0.35) PDK2CA1CA2CA4CA6
SCHEMBL29963982 0.86 PDK2 (0.36) PDK2CA1CA2CA4CA6
SCHEMBL14063305 0.86 PDK2 (0.36) PDK2CA1CA2CA4CA6
SCHEMBL17070769 0.85 PDK2 (0.33) PDK2CA1CA2CA4CA6
SCHEMBL15505764 0.84 MAPT (0.35) PDK2
SCHEMBL15505778 0.84 PRNP (0.34) PDK2CA1CA2CA4CA6
SCHEMBL160603 0.84 PDK2 (0.37) PDK2CA1CA2CA4CA6
SCHEMBL15505821 0.82 PDK2 (0.37) PDK2PTPRCPGR
SCHEMBL26569241 0.82 CRHR1 (0.37) PDK2CA1CA2CA4CA6
SCHEMBL15870875 0.82 PDK2 (0.35) PDK2CA1CYP1A2PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3274419-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-04-03 EP disclosed
EP-2941472-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-07-25 EP disclosed
US-20180051206-A1 Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2018-02-22 US disclosed
US-20180051206-A1 Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2018-02-22 US disclosed
WO-2016150544-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-09-29 WO disclosed
US-20150329772-A1 Materials for Electronic Devices MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
US-20150329772-A1 Materials for Electronic Devices MERCK PATENT GMBH (DE) 2015-11-19 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 (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-20180051206-A1 Materials for Organic Electroluminescent Devices OR10J3, OR51E2, EPCAM PDK2 1158/4885CA1 2201/4885CA2 3468/4885
US-20150329772-A1 Materials for Electronic Devices EFNA1, SDHB, ETFA PDK2 1170/4885CA1 2831/4885CA2 4387/4885

“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.