SCHEMBL4585844

SCHEMBL4585844

CC(C)(C)C=C(c1ccccc1)c1ccc(N(c2ccc(C(=CC(C)(C)C)c3ccccc3)cc2)c2ccc(C(=CC(C)(C)C)c3ccccc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
KMT2A Q03164 4/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 7/20 0.37
GFER P55789 1/20 0.37
MAPT P10636 5/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP2D6 P10635 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
ESRRG P62508 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PKM P14618 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
SCHEMBL15447628 0.98 ALDH1A1 (0.39) RAB9AKMT2AHPGDNPC1MEN1
SCHEMBL28288711 0.86 ALDH1A1 (0.39) ALDH1A1L3MBTL1TDP1CYP1A2CYP2C9
SCHEMBL4585188 0.80 RAB9A (0.44) RAB9AKMT2AHPGDNPC1MEN1
SCHEMBL27723868 0.79 CYP1B1 (0.40) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL18745247 0.79 ALDH1A1 (0.45) RAB9AKMT2AHPGDNPC1MEN1
SCHEMBL13515147 0.76 ALDH1A1 (0.46) RAB9AKMT2AHPGDNPC1MEN1
SCHEMBL10493428 0.76 ALDH1A1 (0.46) RAB9AKMT2AHPGDNPC1MEN1
SCHEMBL4585873 0.75 ALDH1A1 (0.40) RAB9AKMT2AHPGDNPC1MEN1
SCHEMBL4587291 0.74 RAB9A (0.39) RAB9AKMT2AHPGDNPC1MEN1
SCHEMBL15239491 0.73 RAB9A (0.38) RAB9AKMT2AHPGDNPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957605-B1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-01-11 EP disclosed
EP-1957603-B1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-14 EP disclosed
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
EP-1957605-A1 ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2008-08-20 EP disclosed
EP-1957603-A1 ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2008-08-20 EP disclosed
WO-2007065549-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-06-14 WO disclosed
WO-2007065547-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-06-14 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-20080272693-A1 Organic Electroluminescent Devices EML4, MT-ND4L, EPCAM RAB9A 1847/4885KMT2A 1866/4885HPGD 3189/4885

“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.