SCHEMBL13586754

SCHEMBL13586754

C#Cc1ccc(C2=C(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)C(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)=C(c3ccc(C#C)cc3)C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.41
ESR2 Q92731 4/20 0.41
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
XBP1 P17861 1/20 0.40
PTBP1 P26599 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
GALK1 P51570 1/20 0.40
BLM P54132 1/20 0.40
SMAD3 P84022 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13586778 0.93 MEN1 (0.43) ESR1ESR2MEN1APAF1NPC1
SCHEMBL13586775 0.93 ESR1 (0.41) ESR1ESR2MEN1APAF1NPC1
SCHEMBL13586753 0.93 ESR1 (0.41) ESR1ESR2MEN1APAF1NPC1
SCHEMBL13586766 0.93 ESR1 (0.41) ESR1ESR2MEN1APAF1NPC1
SCHEMBL13586800 0.92 ESR1 (0.41) ESR1ESR2MEN1APAF1NPC1
SCHEMBL13586779 0.92 ESR1 (0.41) ESR1ESR2MEN1APAF1NPC1
SCHEMBL13586769 0.92 ESR1 (0.41) ESR1ESR2MEN1APAF1NPC1
SCHEMBL6671636 0.91 ESR1 (0.42) ESR1ESR2MEN1APAF1NPC1
SCHEMBL13586774 0.88 ESR1 (0.41) ESR1ESR2MEN1APAF1NPC1
SCHEMBL13582399 0.88 CYP1A1 (0.39) ESR1ESR2MEN1APAF1NPC1

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-7626059-B2 Multifunctional ethynyl substituted monomers and polyarylene compositions therefrom DOW GLOBAL TECHNOLOGIES INC. 2009-12-01 US disclosed
US-20090012193-A1 Multifunctional Ethynyl Substituted Monomers and Polyarylene Compositions Therefrom DOW GLOBAL TECHNOLOGIES LLC 2009-01-08 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-20090012193-A1 Multifunctional Ethynyl Substituted Monomers and Polyarylene Compositions Therefrom WEE2, WASF2, WEE1 ESR1 293/4885ESR2 627/4885MEN1 3364/4885

“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.