SCHEMBL16852583

SCHEMBL16852583

COc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(Br)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.42
PDK2 Q15119 4/20 0.42
MAPT P10636 4/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
OPRK1 P41145 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
OPRD1 P41143 1/20 0.38
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 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
SCHEMBL1930650 0.90 PDE4D (0.42) PDE4DMAPTKMT2AKDM4EMEN1
SCHEMBL23713898 0.89 STING1 (0.41) PDE4DPDK2MAPTKMT2AKDM4E
SCHEMBL20414407 0.87 KMT2A (0.53) PDE4DPDK2MAPTKMT2AKDM4E
SCHEMBL802764 0.87 PDK2 (0.51) PDK2MAPTKMT2AKDM4EMEN1
SCHEMBL29469448 0.87 PDK2 (0.51) PDK2MAPTKMT2AKDM4EMEN1
SCHEMBL29897944 0.85 PDK2 (0.52) PDK2KMT2AKDM4EMEN1LMNA
SCHEMBL28854435 0.85 PDK2 (0.52) PDK2KMT2AKDM4EMEN1LMNA
SCHEMBL30177008 0.85 PDK2 (0.55) PDE4DPDK2MAPTKMT2AKDM4E
SCHEMBL12781954 0.84 ESR1 (0.45) PDK2MAPTKMT2AKDM4EMEN1
SCHEMBL30873770 0.83 MAPT (0.57) PDE4DPDK2MAPTKMT2AKDM4E

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
US-9595681-B2 Compounds and organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-03-14 US disclosed
US-9595681-B2 Compounds and organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-03-14 US disclosed
EP-2875092-B1 COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-02-15 EP disclosed
US-20150179953-A1 COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-06-25 US disclosed
US-20150179953-A1 COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-06-25 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 (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-20150179953-A1 COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES AFF2, ETV6, PEF1 PDE4D 2346/4885PDK2 1521/4885MAPT 2108/4885

“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.