SCHEMBL18159875

SCHEMBL18159875

COc1ccc(Nc2ccc(/C=C/C=C/c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.44
RAB9A P51151 4/20 0.43
HTT P42858 2/20 0.42
RELA Q04206 1/20 0.42
PTGS2 P35354 1/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
THRB P10828 2/20 0.40
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
KDM1A O60341 3/20 0.38
POLB P06746 2/20 0.38
RAD52 P43351 2/20 0.38
GFER P55789 1/20 0.38
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL18157318 0.92 PTGS2 (0.41) ACP1RAB9APTGS2LMNAKMT2A
SCHEMBL18159834 0.87 RELA (0.42) ACP1RAB9ARELAPTGS2LMNA
SCHEMBL10117130 0.79 RELA (0.64) RAB9ARELAPTGS2LMNAMAPT
SCHEMBL18680245 0.79 RELA (0.67) RAB9ARELAPTGS2LMNAMAPT
SCHEMBL18680257 0.79 RELA (0.67) RAB9ARELAPTGS2LMNAMAPT
SCHEMBL18157328 0.78 PTGS2 (0.41) RAB9APTGS2LMNAKMT2AMEN1
SCHEMBL13237052 0.75 RELA (0.54) RAB9ARELALMNAPKMMAPT
SCHEMBL18159786 0.74 RELA (0.37) RAB9ARELALMNAKMT2AMEN1
SCHEMBL17789109 0.74 RELA (0.47) RELAPTGS2NFE2L2NQO2
SCHEMBL22502962 0.74 TRPA1 (0.54) RELALMNATP53NFE2L2ALDH1A1

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 ACP1 3008/4885RAB9A 2123/4885HTT 3299/4885

“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.