SCHEMBL4585877

SCHEMBL4585877

C=C(c1ccc(N(c2ccc(C(=C)c3ccccc3F)cc2)c2ccc(C(=C)c3ccccc3F)cc2)cc1)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 1/20 0.38
GAA P10253 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL10389931 0.82 LMNA (0.46) KMT2AMEN1CES2CES1MAPT
SCHEMBL29883186 0.82 CES2 (0.48) KMT2AMEN1CES2CES1MAPT
SCHEMBL7916965 0.82 CES2 (0.48) KMT2AMEN1CES2CES1MAPT
SCHEMBL4585193 0.81 KMT2A (0.47) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL28773077 0.79 CES2 (0.42) KMT2AMEN1CES2CES1MAPT
SCHEMBL2828217 0.78 MEN1 (0.43) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL11703047 0.76 MEN1 (0.63) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL7487941 0.75 ABCC9 (0.49) KMT2AMEN1CES2CES1MAPT
SCHEMBL186055 0.74 MEN1 (0.67) KMT2AMEN1CES2CES1MAPT
SCHEMBL4587294 0.74 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 3327/4885CES2 1059/4885

“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.