SCHEMBL4584904

SCHEMBL4584904

CCCCCCCCn1c(=O)c2ccc(c1=O)c1c3c(Br)cc(c(=O)n(CCCCCCCC)c3=O)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
RORA P35398 5/20 0.39
RORC P51449 5/20 0.39
RORB Q92753 5/20 0.39
PGR P06401 5/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
DPP4 P27487 1/20 0.37
ADORA2B P29275 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL15057621 1.00 TDP1 (0.45) TDP1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL13280761 1.00 TDP1 (0.45) TDP1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL15057939 1.00 TDP1 (0.45) TDP1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL15057631 0.94 TDP1 (0.46) TDP1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL3855630 0.94 TDP1 (0.46) TDP1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL19052071 0.91 TDP1 (0.42) TDP1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL19052075 0.90 TDP1 (0.41) TDP1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL19052076 0.85 TDP1 (0.50) TDP1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL54244 0.85 TDP1 (0.59) TDP1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL15057066 0.85 TDP1 (0.59) TDP1L3MBTL1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021220-A1 Naphthalene-based semiconductor materials and methods of preparing and use thereof POLYERA CORPORATION 2008-01-24 US claimed
WO-2007146250-A2 NAPHTHALENE-BASED SEMICONDUCTOR MATERIALS AND METHODS OF PREPARING AND USE THEREOF NORTHWESTERN UNIVERSITY (US) 2007-12-21 WO claimed
WO-2013096924-A1 OLIGOMERS AND POLYMERS AND POLYMERS AND METHODS DERIVED FROM STANNYL DERIVATIVES OF NAPHTHALENE DIIMIDES GEORGIA TECH RESEARCH CORPORATION (US) 2013-06-27 WO 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-20080021220-A1 Naphthalene-based semiconductor materials and methods of preparing and use thereof NES, NUCB2, NCL TDP1 1917/4885L3MBTL1 3966/4885KDM4E 742/4885

“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.