SCHEMBL15466784

SCHEMBL15466784

O=C(Cc1ccc([N+](=O)[O-])c(O)c1)Cc1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.55
SNCA P37840 2/20 0.49
MAPT P10636 5/20 0.43
HPGD P15428 4/20 0.43
POLB P06746 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TSHR P16473 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
BLM P54132 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
PKM P14618 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
RECQL P46063 1/20 0.43
RGS12 O14924 1/20 0.43

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
SCHEMBL2434953 0.88 GAA (0.59) GPR35SNCAMAPTHPGDPOLB
SCHEMBL6379699 0.88 GAA (0.59) GPR35SNCAMAPTHPGDPOLB
SCHEMBL15887322 0.86 GPR35 (0.51) GPR35SNCAMAPTHPGDPOLB
SCHEMBL5184754 0.86 GPR35 (0.51) GPR35SNCAMAPTHPGDPOLB
SCHEMBL9198508 0.83 SNCA (0.62) GPR35SNCAMAPTHPGDPOLB
SCHEMBL2435686 0.82 ALDH1A1 (0.55) GPR35SNCAMAPTHPGDTSHR
SCHEMBL19182429 0.82 GPR35 (0.47) GPR35SNCAMAPTHPGDPOLB
SCHEMBL2345266 0.81 GPR35 (0.58) GPR35SNCAMAPTHPGDPOLB
SCHEMBL11328176 0.80 GPR35 (0.56) GPR35SNCAMAPTHPGDPOLB
SCHEMBL5175273 0.80 GPR35 (0.56) GPR35SNCAMAPTHPGDPOLB

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-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION XU LIFENG (US) 2014-02-13 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-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION ALPI, SI, SLC5A11 GPR35 2567/4885SNCA 3042/4885MAPT 1087/4885

“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.