SCHEMBL9915569

SCHEMBL9915569

[C-]#[N+]/C(C#N)=C1\C(=C)C(=O)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.36
S100A4 P26447 2/20 0.36
PLA2G1B P04054 2/20 0.36
ATG4B Q9Y4P1 2/20 0.36
NSD2 O96028 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CCR6 P51684 1/20 0.36
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
APAF1 O14727 2/20 0.33
USP8 P40818 2/20 0.33
USP7 Q93009 2/20 0.33
CDC25B P30305 1/20 0.33
MAPT P10636 6/20 0.33
ALDH1A1 P00352 4/20 0.33
ALOX15 P16050 3/20 0.33
HSD17B10 Q99714 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
MAOA P21397 4/20 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
SCHEMBL9915584 0.89
SCHEMBL13292065 0.85 TDP2 (0.47) TDP2S100A4PLA2G1BATG4BNSD2
SCHEMBL10062478 0.79 S100A4 (0.32) TDP2S100A4PLA2G1BATG4BNSD2
SCHEMBL13851913 0.78 MAPT (0.42) TDP2S100A4PLA2G1BATG4BNSD2
SCHEMBL1100632 0.76 KMT2A (0.35) TDP2S100A4PLA2G1BATG4BNSD2
SCHEMBL21706371 0.76 MEN1 (0.41) TDP2S100A4PLA2G1BATG4BNSD2
SCHEMBL13171745 0.73 GPR3 (0.39) MEN1KMT2A
SCHEMBL9915573 0.73 GPR3 (0.39) MEN1KMT2A
SCHEMBL13292071 0.73 S100A4 (0.51) TDP2S100A4PLA2G1BATG4BNSD2
SCHEMBL9915577 0.71 RNASEH1 (0.32) HTTMAOA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227475-A1 Asymmetric Fused Aromatic Ring Derivative Containing Sulfonyl Group, Use Thereof, Hydrogen Production Device and Optoelectronic Component NATIONAL TSING HUA UNIVERSITY (TW) 2023-07-20 US disclosed
US-20230131130-A1 ORGANIC SEMICONDUCTING COMPOUND AND ORGANIC PHOTOELECTRIC COMPONENTS USING THE SAME Raynergy Tek Incorporation (TW) 2023-04-27 US disclosed
US-8197722-B2 Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-12 US disclosed
US-8039625-B2 Coronene charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-18 US disclosed
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF NATIONAL SCIENCE FOUNDATION 2009-02-19 US disclosed
US-20080283804-A1 include a bridge of pi-conjugated bonds connecting electron donating or accepting groups; electronically excited upon absorption lead to formation of Lewis acidic species, Lewis basic species, radical species or ionic species; chromogens use in engineering, biological, and medicinal field CALIFORNIA INSTITUTE OF TECHNOLOGY 2008-11-20 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 (2 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-20230227475-A1 Asymmetric Fused Aromatic Ring Derivative Containing Sulfonyl Group, Use Thereof, Hydrogen Production Device and Optoelectronic Component AHR, STS, HAT1 TDP2 4521/4885S100A4 4390/4885PLA2G1B 4557/4885
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF SLC18A3, CORO1C, SLC18A1 TDP2 799/4885S100A4 20/4885PLA2G1B 848/4885

“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.