SCHEMBL20182308

SCHEMBL20182308

CC1(C)c2ccccc2-c2c(Nc3ccccc3Nc3ccccc3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
GAA P10253 5/20 0.42
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
GLA P06280 2/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 6/20 0.41
LMNA P02545 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDK2 Q15119 1/20 0.39
FABP4 P15090 2/20 0.39
HPGD P15428 4/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
ATM Q13315 2/20 0.39

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
SCHEMBL31321401 0.97 MAPT (0.44) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL16577753 0.97 MAPT (0.44) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL29529547 0.97 MAPT (0.44) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL20182305 0.91 STK10 (0.37) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL23637475 0.90 PDK2 (0.45) MAPTTDP1CYP1A2PDK2FABP4
SCHEMBL29771223 0.90 PDK2 (0.45) MAPTTDP1CYP1A2PDK2FABP4
SCHEMBL14681513 0.88 STK10 (0.39) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL23482306 0.88 STK10 (0.39) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL16985874 0.86 MAPT (0.50) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL15250346 0.85 SIRT2 (0.45) MAPTMEN1KMT2AGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541890-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-28 EP disclosed
US-20190352318-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-11-21 US disclosed
WO-2018091435-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-05-24 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-20190352318-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM MAPT 1786/4885MEN1 351/4885KMT2A 3246/4885

“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.