SCHEMBL18159834

SCHEMBL18159834

COc1ccc(Nc2ccc(/C=C/C=C/c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc34)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.42
PTGS2 P35354 2/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
THRB P10828 2/20 0.40
ACP1 P24666 1/20 0.40
KMT2A Q03164 5/20 0.38
KDM1A O60341 4/20 0.38
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
GFER P55789 1/20 0.38
RAB9A P51151 4/20 0.37
MEN1 O00255 4/20 0.37
NPC1 O15118 2/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL18157328 0.92 PTGS2 (0.41) PTGS2MAPTTP53KMT2AKDM1A
SCHEMBL18159875 0.87 ACP1 (0.44) RELAPTGS2MAPTSMN1; SMN2TP53
SCHEMBL13237052 0.86 RELA (0.54) RELAMAPTRAB9ANPC1KDM4E
SCHEMBL13237084 0.83 STAT3 (0.47) RELAPTGS2MAPTKMT2AGFER
SCHEMBL13237085 0.82 STAT3 (0.46) PTGS2MAPTKMT2AGFERRAB9A
SCHEMBL18159767 0.82 RELA (0.37) RELAKMT2ARAB9AMEN1NPC1
SCHEMBL20109433 0.81 APP (0.45) RELAPTGS2MAPTTHRBKMT2A
SCHEMBL18157326 0.79 NPC1 (0.36) MAPTTP53THRBKMT2APOLB
SCHEMBL13237078 0.79 APP (0.40) MAPTKMT2APOLBGFERRAB9A
SCHEMBL10117130 0.79 RELA (0.64) RELAPTGS2MAPTSMN1; SMN2TP53

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 3837/4885PTGS2 2881/4885MAPT 1309/4885

“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.