SCHEMBL126377

SCHEMBL126377

[C-]#[N+]c1ccc(N(c2ccc(C)cc2)c2ccc3ccc4c(N(c5ccc(C)cc5)c5ccc(C#N)cc5)ccc5ccc2c3c54)cc1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP2A6 P11509 1/20 0.39
HCRTR2 O43614 1/20 0.32

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
SCHEMBL126191 0.94
SCHEMBL125668 0.92 ALDH1A1 (0.30) ALDH1A1CYP2A6
SCHEMBL12575800 0.92 ALDH1A1 (0.33) ALDH1A1CYP2A6
SCHEMBL12575859 0.92 ALDH1A1 (0.33) ALDH1A1CYP2A6
SCHEMBL179171 0.90 ALDH1A1 (0.48) ALDH1A1CYP2A6HCRTR2
SCHEMBL126369 0.89 CRHBP (0.33)
SCHEMBL12575598 0.88 ABCG2 (0.32) ALDH1A1CYP2A6
SCHEMBL12575723 0.88 ABCG2 (0.32) ALDH1A1CYP2A6
SCHEMBL12576028 0.88
SCHEMBL126378 0.87

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-20170256722-A1 A HOLE TRANSPORT MATERIAL AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-09-07 US disclosed
US-20170162801-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-06-08 US disclosed
US-20170005276-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-01-05 US disclosed
US-20160301014-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-10-13 US disclosed
US-20140346406-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE ORGANIC ELECTROLUMINESCENT COMPOUNDS ROHM & HAAS ELECT MAT (KR) 2014-11-27 US disclosed
US-20120056165-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-03-08 US disclosed
US-20120013244-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-01-19 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 (4 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-20170162801-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC9A2, SLC9B2, SLC26A3 ALDH1A1 1018/4885CYP2A6 4435/4885HCRTR2 3102/4885
US-20120013244-A1 ORGANIC LUMINESCENT MEDIUM ANXA1, ANXA11, GLB1 ALDH1A1 61/4885CYP2A6 1167/4885HCRTR2 4356/4885
US-20170256722-A1 A HOLE TRANSPORT MATERIAL AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME HTT, VDAC1, VAPA ALDH1A1 2507/4885CYP2A6 4258/4885HCRTR2 1990/4885
US-20170005276-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC9A2, SOD1, SLC9B2 ALDH1A1 1230/4885CYP2A6 4554/4885HCRTR2 3126/4885

“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.