SCHEMBL9921115

SCHEMBL9921115

c1ccc(-c2ccc3ccc4c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc5ccc2c3c54)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
CYP1A2 P05177 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ATM Q13315 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
TLR9 Q9NR96 1/20 0.34
APP P05067 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL2208571 0.98 ALDH1A1 (0.38) ALDH1A1L3MBTL1CYP1A2TDP1MAPT
SCHEMBL10029021 0.98 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP1A2TDP1MAPT
SCHEMBL12433903 0.96 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP1A2TDP1MAPT
SCHEMBL18174845 0.94 CYP1A2 (0.39) ALDH1A1L3MBTL1CYP1A2TDP1MAPT
SCHEMBL18174848 0.93 CYP1A2 (0.41) ALDH1A1L3MBTL1CYP1A2TDP1MAPT
SCHEMBL18174838 0.92 CYP1A2 (0.40) ALDH1A1L3MBTL1CYP1A2TDP1MAPT
SCHEMBL17263968 0.91 KDM4E (0.33) ALDH1A1L3MBTL1CYP1A2TDP1MAPT
SCHEMBL17562214 0.90 ALDH1A1 (0.35) ALDH1A1L3MBTL1CYP1A2TDP1MAPT
SCHEMBL15138065 0.90 ALDH1A1 (0.35) ALDH1A1L3MBTL1CYP1A2TDP1MAPT
SCHEMBL17264003 0.90 ALDH1A1 (0.35) ALDH1A1L3MBTL1CYP1A2TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140061629-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2014-03-06 US disclosed
US-20140061629-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2014-03-06 US disclosed
EP-2463352-A2 Light emitting device material and light emitting device Toray Industries, Inc. (JP) 2012-06-13 EP disclosed
EP-2463351-A2 Light emitting device material and light emitting device Toray Industries, Inc. (JP) 2012-06-13 EP disclosed
US-20090096356-A1 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2009-04-16 US disclosed
US-20090096356-A1 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2009-04-16 US disclosed
EP-1942171-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2008-07-09 EP 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-20090096356-A1 Light-emitting device material and light-emitting device PRMT9, CCNL2, MRPL9 ALDH1A1 1929/4885L3MBTL1 283/4885CYP1A2 249/4885

“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.