SCHEMBL4585193

SCHEMBL4585193

C=C(c1ccc(N(c2ccc(C(=C)c3ccccc3C)cc2)c2ccc(C(=C)c3ccccc3C)cc2)cc1)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
MAPK14 Q16539 1/20 0.34
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CYP26A1 O43174 1/20 0.33
ABCB11 O95342 1/20 0.33
ESR1 P03372 1/20 0.33
PGR P06401 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL18787988 0.88 MAOA (0.46) KMT2AMEN1MAOAMAOBNPC1
SCHEMBL16105416 0.82 AKR1C3 (0.44) KMT2AMEN1MAOAMAOBNPC1
SCHEMBL29883083 0.82 KMT2A (0.45) KMT2AMEN1MAOAMAOBNPC1
SCHEMBL6445437 0.82 KMT2A (0.45) KMT2AMEN1MAOAMAOBNPC1
SCHEMBL4585877 0.81 KMT2A (0.43) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL9554889 0.79 MEN1 (0.53) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL31555031 0.78 RXRA (0.53) KMT2AMEN1TSHRALDH1A1SMN1; SMN2
SCHEMBL2828217 0.78 MEN1 (0.43) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL4585848 0.77 MEN1 (0.43) KMT2AMEN1TSHRALDH1A1RXRA
SCHEMBL4587294 0.77 MEN1 (0.43) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785001-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-07-22 US disclosed
US-8304095-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-11-06 US disclosed
US-20080297037-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-04 US disclosed
US-20080272693-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-11-06 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-20080272693-A1 Organic Electroluminescent Devices EML4, MT-ND4L, EPCAM KMT2A 1866/4885MEN1 3327/4885MAOA 969/4885

“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.