SCHEMBL15467486

SCHEMBL15467486

O=C(Cc1ccc(Oc2ccc(O)c([N+](=O)[O-])c2)cc1)Cc1ccc(Oc2ccc(O)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR35 Q9HC97 1/20 0.45
SNCA P37840 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL1581489 0.84 GPR35 (0.60) MAPK1ALDH1A1TP53HPGDTSHR
SCHEMBL1602832 0.80 MAPK1 (0.51) MAPK1ALDH1A1TP53HPGDTSHR
SCHEMBL5927514 0.79 SRD5A2 (0.48) HPGDTSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL27988511 0.78 ALDH1A1 (0.49) MAPK1ALDH1A1TP53HPGDTSHR
SCHEMBL15466784 0.77 GPR35 (0.55) MAPK1ALDH1A1TP53HPGDTSHR
SCHEMBL28760190 0.75 POLB (0.49) MAPK1ALDH1A1TP53HPGDTSHR
SCHEMBL4847049 0.73 GPR35 (0.58) MAPK1ALDH1A1TP53HPGDTSHR
SCHEMBL1874991 0.73 ALDH1A1 (0.50) MAPK1ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL2710180 0.72 MAPT (0.59) MAPK1ALDH1A1TP53HPGDTSHR
SCHEMBL231627 0.72 MAPT (0.59) MAPK1ALDH1A1TP53HPGDTSHR

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 MAPK1 3614/4885ALDH1A1 1864/4885TP53 11/4885

“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.