SCHEMBL13170491

SCHEMBL13170491

O=C1C2=C(c3ccccc3)C(c3ccccc3)=C1c1ccc(cc1)C1=C(c3ccccc3)C(c3ccccc3)=C(C1=O)c1ccc(cc1)C1=C(c3ccccc3)C(c3ccccc3)=C(C1=O)c1ccc(cc1)C1=C(c3ccccc3)C(c3ccccc3)=C(C1=O)c1ccc2cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.52
ESR1 P03372 4/20 0.48
ESR2 Q92731 4/20 0.48
MAPT P10636 4/20 0.48
HTT P42858 4/20 0.48
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
APAF1 O14727 2/20 0.48
NPC1 O15118 2/20 0.48
THRB P10828 2/20 0.48
RAB9A P51151 2/20 0.48
GALK1 P51570 2/20 0.48
BLM P54132 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
XBP1 P17861 1/20 0.48
PTBP1 P26599 1/20 0.48
SMAD3 P84022 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL20160837 1.00 PDE4B (0.52) PDE4BESR1ESR2MAPTHTT
SCHEMBL13170578 1.00 PDE4B (0.52) PDE4BESR1ESR2MAPTHTT
SCHEMBL4250744 1.00 PDE4B (0.52) PDE4BESR1ESR2MAPTHTT
SCHEMBL20160807 0.97 LMNA (0.52) PDE4BESR1ESR2MAPTHTT
SCHEMBL516326 0.97 PDE4B (0.54) PDE4BESR1ESR2MAPTHTT
Ethyne SCHEMBL28292549 0.92 PDE4B (0.50) PDE4BESR1ESR2MAPTHTT
SCHEMBL7192214 0.89 PDE4B (0.48) PDE4BESR1ESR2MAPTHTT
SCHEMBL8693759 0.88 PDE4B (0.52) PDE4BMAPTHTTLMNANPSR1
SCHEMBL25446505 0.88 PDE4B (0.43) PDE4BESR1ESR2MAPTHTT
SCHEMBL7519728 0.88 PTGS1 (0.56) PDE4BESR1ESR2MAPTHTT

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-20100222432-A1 Synthetic Carbon Nanotubes KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2010-09-02 US disclosed
US-20100222432-A1 Synthetic Carbon Nanotubes KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2010-09-02 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-20100222432-A1 Synthetic Carbon Nanotubes CYCS, CHN2, TUBA3C PDE4B 4667/4885ESR1 4373/4885ESR2 3838/4885

“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.