SCHEMBL4258678

SCHEMBL4258678

O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cc(C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
HPGD P15428 3/20 0.57
NPC1 O15118 2/20 0.57
L3MBTL1 Q9Y468 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
ATM Q13315 2/20 0.56
ALDH1A1 P00352 5/20 0.52
SRD5A2 P31213 2/20 0.50
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
LMNA P02545 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44

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
SCHEMBL329666 0.94 RAB9A (0.63) RAB9AHPGDNPC1L3MBTL1TDP1
SCHEMBL17950505 0.92 L3MBTL1 (0.69) RAB9AHPGDNPC1L3MBTL1TDP1
SCHEMBL8684872 0.91 RAB9A (0.67) RAB9AHPGDNPC1L3MBTL1TDP1
SCHEMBL329499 0.91 RAB9A (0.67) RAB9AHPGDNPC1L3MBTL1TDP1
SCHEMBL13781106 0.89 HPGD (0.69) RAB9AHPGDNPC1L3MBTL1TDP1
SCHEMBL29932503 0.88 MAPT (0.59) RAB9AHPGDNPC1L3MBTL1TDP1
Benzophenone SCHEMBL27709584 0.87 ALDH1A1 (0.70) RAB9AHPGDNPC1L3MBTL1TDP1
SCHEMBL3916584 0.87 RAB9A (0.49) RAB9AHPGDNPC1L3MBTL1TDP1
SCHEMBL28502432 0.86 RAB9A (0.60) RAB9AHPGDNPC1L3MBTL1TDP1
SCHEMBL850988 0.85 ALDH1A1 (0.48) RAB9AHPGDNPC1L3MBTL1TDP1

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-2024465-B1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-01-13 EP disclosed
EP-2024465-B1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-01-13 EP disclosed
US-9206351-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-12-08 US disclosed
US-9206351-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-12-08 US disclosed
US-9206351-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-12-08 US disclosed
CN-101460588-B Material for organic electroluminescent device MERCK PATENT GMBH 2013-05-08 CN disclosed
US-20090167166-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-07-02 US disclosed
US-20090167166-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-07-02 US disclosed
US-20090167166-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-07-02 US disclosed
WO-2007137725-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-12-06 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-20090167166-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, OR10J3, PUF60 RAB9A 2498/4885HPGD 1712/4885NPC1 3900/4885

“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.