SCHEMBL2606599

SCHEMBL2606599

CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)-c1cc2ccc(Br)cc2cc1C3(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2A6 P11509 1/20 0.39
PDK2 Q15119 1/20 0.38
NCEH1 Q6PIU2 1/20 0.32
ALK Q9UM73 2/20 0.32
AKR1A1 P14550 1/20 0.31
AKR1B1 P15121 1/20 0.31
S100A4 P26447 1/20 0.31
LMNA P02545 1/20 0.30
TDP2 O95551 1/20 0.30
BACE1 P56817 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL16683880 0.98 KDM4E (0.42) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL2790308 0.97 KDM4E (0.41) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL4243301 0.97 KDM4E (0.41) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL2790733 0.88 PDK2 (0.44) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL19197207 0.88 CYP2A6 (0.55) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL13828827 0.88 PDK2 (0.46) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL29383770 0.88 PDK2 (0.46) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL29562304 0.88 PDK2 (0.46) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL31197665 0.87 PDK2 (0.36) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL5013191 0.87 PDK2 (0.42) KDM4EMEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8241763-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-08-14 US disclosed
US-8241763-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-08-14 US disclosed
EP-2038370-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-25 EP disclosed
US-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
US-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
WO-2008006449-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-01-17 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 (1 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-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SLC26A3, SLCO4C1 KDM4E 2659/4885MEN1 1265/4885ALDH1A1 600/4885

“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.