SCHEMBL4584429

SCHEMBL4584429

CCCCCCCc1[c]nccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNH2 Q12809 3/20 0.44
LIPG Q9Y5X9 1/20 0.37
TRPV1 Q8NER1 3/20 0.37
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SHBG P04278 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSPD1 P10809 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL15344545 1.00 TDP1 (0.44) TDP1L3MBTL1KCNH2LIPGTRPV1
SCHEMBL4585397 1.00 TDP1 (0.44) TDP1L3MBTL1KCNH2LIPGTRPV1
SCHEMBL4586892 1.00 TDP1 (0.44) TDP1L3MBTL1KCNH2LIPGTRPV1
SCHEMBL9013118 1.00 TDP1 (0.44) TDP1L3MBTL1KCNH2LIPGTRPV1
SCHEMBL4586718 1.00 TDP1 (0.44) TDP1L3MBTL1KCNH2LIPGTRPV1
SCHEMBL4585040 1.00 TDP1 (0.44) TDP1L3MBTL1KCNH2LIPGTRPV1
SCHEMBL4585106 1.00 TDP1 (0.44) TDP1L3MBTL1KCNH2LIPGTRPV1
SCHEMBL4584095 1.00 TDP1 (0.44) TDP1L3MBTL1KCNH2LIPGTRPV1
SCHEMBL239455 0.98 TDP1 (0.46) TDP1L3MBTL1KCNH2LIPGTRPV1
SCHEMBL695229 0.92 L3MBTL1 (0.39) TDP1L3MBTL1KCNH2TRPV1ALDH1A1

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-8334391-B2 Functionalized heteroacenes XEROX CORPORATION (US) 2012-12-18 US claimed
US-7372071-B2 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORPORATION (US) 2008-05-13 US claimed
US-20070260069-A1 Functionalized heteroacenes XEROX CORPORATION 2007-11-08 US claimed
US-20070235721-A1 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORPORATION 2007-10-11 US claimed
EP-1843410-B1 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORP (US) 2013-10-16 EP disclosed
EP-1843410-A2 Functionalized heteroacenes and electronic devices generated therefrom Xerox Corporation (US) 2007-10-10 EP 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-20070260069-A1 Functionalized heteroacenes SOD1, AHR, NR0B2 TDP1 3945/4885L3MBTL1 1684/4885KCNH2 1459/4885

“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.