SCHEMBL16559089

SCHEMBL16559089

CCN(CC)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ PDK2 Q15119 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ GAA P10253 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ KIF11 P52732 1/20 0.31
▸ PABPC1 P11940 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL16559117 0.90 MEN1 (0.38) DDB1CRBNPDK2MAPTMEN1
SCHEMBL16559090 0.89 DDB1 (0.42) DDB1CRBNPDK2MAPTMEN1
SCHEMBL16559119 0.88 NPSR1 (0.41) DDB1CRBNPDK2MAPTMEN1
SCHEMBL16559093 0.83 SMN1; SMN2 (0.39) DDB1CRBNPDK2MAPTMEN1
SCHEMBL19742335 0.83 PDK2 (0.55) PDK2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL17854180 0.82 MEN1 (0.43) PDK2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL16559104 0.81 MEN1 (0.40) PDK2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL16559116 0.80 PDK2 (0.41) DDB1CRBNPDK2MAPTMEN1
SCHEMBL16559120 0.79 PDK2 (0.40) DDB1CRBNPDK2MAPTMEN1
SCHEMBL21923889 0.79 MEN1 (0.38) PDK2MAPTMEN1KMT2ASMN1; SMN2

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-20180066000-A1 Metal Complexes and Electroluminescent Devices Comprising These Metal Complexes MERCK PATENT GMBH (DE) 2018-03-08 — — US disclosed
US-20170365786-A1 COMPOSITIONS COMPRISING AT LEAST ONE POLYMER AND AT LEAST ONE METAL COMPLEX AND TO ELECTROLUMINESCENT DEVICES CONTAINING SAID COMPOSITIONS MERCK PATENT GMBH (DE) 2017-12-21 — — US disclosed
US-20170365785-A1 COMPOSITIONS COMPRISING AT LEAST ONE POLYMER AND AT LEAST ONE SALT, AND ELECTROLUMINESCENT DEVICES CONTAINING SAID COMPOSITIONS MERCK PATENT GMBH (DE) 2017-12-21 — — US disclosed
US-9815940-B2 Polymers containing substituted triarylamine units and electroluminescent devices containing said polymers MERCK PATENT GMBH (DE) 2017-11-14 — — US disclosed
US-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20150069303-A1 POLYMERS CONTAINING SUBSTITUTED TRIARYLAMINE UNITS AND ELECTROLUMINESCENT DEVICES CONTAINING SAID POLYMERS MERCK PATENT GMBH (DE) 2015-03-12 — — 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-20180066000-A1 Metal Complexes and Electroluminescent Devices Comprising These Metal Complexes OCIAD2, OCIAD1, ICOSLG DDB1 3567/4885CRBN 4291/4885PDK2 1479/4885
US-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE ESR1, ESR2, CCNE2 DDB1 2689/4885CRBN 3288/4885PDK2 2282/4885

“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.

Send feedback