SCHEMBL18159786

SCHEMBL18159786

COc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(/C=C/C=C/c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c3ccccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 3/20 0.37
TRPM8 Q7Z2W7 4/20 0.36
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
LMNA P02545 1/20 0.34
SNCA P37840 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
APP P05067 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
SCHEMBL18157321 0.95 TRPM8 (0.41) RELATRPM8BCHECYP3A4NFKB1
SCHEMBL18159767 0.94 RELA (0.37) RELATRPM8BCHECYP3A4NFKB1
SCHEMBL18157319 0.93 APP (0.36) TRPM8CYP3A4LMNAKDM4ENPC1
SCHEMBL10024162 0.92 NFE2L2 (0.39) RELATRPM8BCHECYP3A4NFKB1
SCHEMBL9973917 0.92 NFE2L2 (0.39) RELATRPM8BCHECYP3A4NFKB1
SCHEMBL18157323 0.92 APP (0.38) TRPM8CYP3A4LMNAKDM4ENPC1
SCHEMBL18159839 0.92 TRPM8 (0.34) RELATRPM8BCHECYP3A4NFKB1
SCHEMBL20109431 0.90 TRPM8 (0.36) TRPM8CYP3A4KDM4ENPC1RAB9A
SCHEMBL13990770 0.89 ALDH1A1 (0.35) TRPM8CYP3A4MAOBLMNAKDM4E
SCHEMBL12549940 0.89 ALDH1A1 (0.35) TRPM8CYP3A4MAOBLMNAKDM4E

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 3837/4885TRPM8 138/4885BCHE 3764/4885

“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.