SCHEMBL7542853

SCHEMBL7542853

O=C(O)/N=N/c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
TDP1 Q9NUW8 4/20 0.44
CYP1A2 P05177 4/20 0.44
CYP3A4 P08684 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
ABCB11 O95342 1/20 0.44
NR3C1 P04150 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ALOX15 P16050 1/20 0.44
ADRA2C P18825 1/20 0.44
MAOA P21397 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL7542858 1.00 DHODH (0.47) DHODHNR4A1NR4A2NR4A3TDP1
Benzene SCHEMBL11235066 0.81 CYP1A2 (0.56) DHODHNR4A1NR4A2NR4A3TDP1
Benzene SCHEMBL7716364 0.81 CYP1A2 (0.56) DHODHNR4A1NR4A2NR4A3TDP1
SCHEMBL343533 0.80 NR4A1 (0.50) DHODHNR4A1NR4A2NR4A3TDP1
SCHEMBL7650795 0.79 CYP1A2 (0.58) TDP1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL2291745 0.79 CYP1A2 (0.58) TDP1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL7538800 0.78 NR4A1 (0.63) DHODHNR4A1NR4A2NR4A3TDP1
SCHEMBL28496032 0.77 CYP1A2 (0.56) TDP1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL30854927 0.77 CYP1A2 (0.56) TDP1CYP1A2CYP3A4HSD17B10ALDH1A1
Naphthalene SCHEMBL6560501 0.77 CYP1A2 (0.56) TDP1CYP1A2CYP3A4HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 DHODH 3329/4885NR4A1 4435/4885NR4A2 3917/4885

“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.