SCHEMBL18157328

SCHEMBL18157328

Cc1ccc(Nc2ccc(/C=C/C=C/c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc34)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
HPGD P15428 2/20 0.38
KDM1A O60341 4/20 0.37
APP P05067 3/20 0.35
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
NPY5R Q15761 1/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
EGFR P00533 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
SCHEMBL18159834 0.92 RELA (0.42) PTGS2KDM1AMAPK1NPC1POLB
SCHEMBL20109433 0.88 APP (0.45) PTGS2HPGDAPPMAPK1NPC1
SCHEMBL18157326 0.86 NPC1 (0.36) HPGDAPPMAPK1NPC1POLB
SCHEMBL13237078 0.86 APP (0.40) HPGDAPPPOLBRAB9AALDH1A1
SCHEMBL18157318 0.85 PTGS2 (0.41) PTGS2HPGDKDM1AAPPMAPK1
SCHEMBL13237082 0.85 APP (0.42) HPGDAPPPOLBRAB9AALDH1A1
SCHEMBL14537277 0.81 RELA (0.44) PTGS2HPGDAPPMAPK1NPC1
SCHEMBL2153287 0.81 RELA (0.44) PTGS2HPGDAPPMAPK1NPC1
SCHEMBL14537271 0.81 RELA (0.44) PTGS2HPGDAPPMAPK1NPC1
SCHEMBL11976748 0.80 ALDH1A1 (0.38) PTGS2HPGDAPPMAPK1NPC1

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 PTGS2 2881/4885HPGD 1497/4885KDM1A 2294/4885

“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.