SCHEMBL3335602

SCHEMBL3335602

O=[N+]([O-])c1cc[c]cc1Cc1c[c]ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
HPGD P15428 1/20 0.42
SNCA P37840 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CES1 P23141 1/20 0.34
HSD17B10 Q99714 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
GPR35 Q9HC97 1/20 0.33
AR P10275 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 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
SCHEMBL457758 0.86 ALDH1A1 (0.41) ALDH1A1HPGDTSHRTDP1MEN1
SCHEMBL27416167 0.85 ALDH1A1 (0.40) ALDH1A1HPGDSNCATSHRTDP1
SCHEMBL6204415 0.85 ALDH1A1 (0.40) ALDH1A1HPGDSNCATSHRTDP1
SCHEMBL7290800 0.85 ALDH1A1 (0.43) ALDH1A1HPGDSNCATSHRTDP1
SCHEMBL11632629 0.85 ALDH1A1 (0.56) ALDH1A1HPGDSNCATSHRTDP1
SCHEMBL29141200 0.82 ALDH1A1 (0.38) ALDH1A1HPGDTSHRTDP1MEN1
SCHEMBL27892168 0.82 ALDH1A1 (0.41) ALDH1A1HPGDSNCATSHRGPR35
SCHEMBL8927043 0.80 ALDH1A1 (0.37) ALDH1A1HPGDTSHRTDP1MEN1
SCHEMBL13835837 0.80 CYP1A2 (0.51) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL57882 0.79 TSHR (0.40) ALDH1A1TSHRTDP1MEN1KMT2A

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-20100144872-A1 New Methylenebisphenyl Compounds Useful in the Treatment of Inflammation BIOLIPOX AB 2010-06-10 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-20100144872-A1 New Methylenebisphenyl Compounds Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R ALDH1A1 1558/4885HPGD 370/4885SNCA 2839/4885

“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.