SCHEMBL18159767

SCHEMBL18159767

COc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(/C=C/C=C/c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc34)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 3/20 0.37
BCHE P06276 1/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
NFE2L2 Q16236 2/20 0.36
KEAP1 Q14145 1/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
TRPA1 O75762 1/20 0.34
TRPM8 Q7Z2W7 3/20 0.34
SNCA P37840 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 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
SCHEMBL18159786 0.94 RELA (0.37) RELABCHECYP3A4NFKB1NFKB2
SCHEMBL18157327 0.93 ALDH1A1 (0.35) CYP3A4TRPM8NPC1RAB9AKDM4E
SCHEMBL18157332 0.91 CYP1A1 (0.34) RELABCHECYP3A4NFKB1NFKB2
SCHEMBL18159877 0.91 NFE2L2 (0.34) RELABCHECYP3A4NFKB1NFKB2
SCHEMBL18157321 0.89 TRPM8 (0.41) RELABCHECYP3A4NFKB1NFKB2
SCHEMBL18159845 0.89 CYP1A1 (0.35) RELABCHECYP3A4NFKB1NFKB2
SCHEMBL18159839 0.88 TRPM8 (0.34) RELABCHECYP3A4NFKB1NFKB2
SCHEMBL9973917 0.88 NFE2L2 (0.39) RELABCHECYP3A4NFKB1NFKB2
SCHEMBL10024162 0.88 NFE2L2 (0.39) RELABCHECYP3A4NFKB1NFKB2
SCHEMBL20109431 0.88 TRPM8 (0.36) CYP3A4TRPM8NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663447-B2 Asymmetric butadiene-based charge transport compound, electrophotographic photoreceptor containing same, and image forming apparatus S-PRINTING SOLUTION CO., LTD. (KR) 2017-05-30 US disclosed
US-20160304437-A1 ASYMMETRIC BUTADIENE-BASED CHARGE TRANSPORT COMPOUND, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CONTAINING SAME, AND IMAGE FORMING APPARATUS SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-10-20 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-20160304437-A1 ASYMMETRIC BUTADIENE-BASED CHARGE TRANSPORT COMPOUND, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CONTAINING SAME, AND IMAGE FORMING APPARATUS ALDH1A2, USE1, SLC9A1 RELA 3837/4885BCHE 3764/4885CYP3A4 3877/4885

“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.