SCHEMBL4839671

SCHEMBL4839671

O=[N+]([O-])c1ccc(Oc2ccc3cc(Oc4ccc([N+](=O)[O-])c(O)c4)ccc3c2)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.55
ALDH1A1 P00352 4/20 0.46
HTT P42858 2/20 0.46
PIN1 Q13526 1/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 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
SCHEMBL4847624 0.97 GPR35 (0.51) GPR35ALDH1A1HTTPIN1MAPT
SCHEMBL4847049 0.93 GPR35 (0.58) GPR35ALDH1A1HTTMAPTHPGD
SCHEMBL4840927 0.88 GPR35 (0.53) GPR35ALDH1A1HTTPIN1MAPT
SCHEMBL7583285 0.86 GPR35 (0.51) GPR35ALDH1A1PIN1KDM4ETDP1
SCHEMBL5955410 0.85 LTA4H (0.52) GPR35ALDH1A1HTTMAPTHPGD
SCHEMBL6186809 0.83 GPR35 (0.49) GPR35ALDH1A1HTTMAPTHPGD
SCHEMBL4845296 0.83 GPR35 (0.49) GPR35ALDH1A1HTTPIN1MAPT
SCHEMBL4841623 0.83 PTPN1 (0.50) GPR35ALDH1A1HTTMAPTHPGD
SCHEMBL4843320 0.83 GPR35 (0.51) GPR35ALDH1A1HTTMAPTHPGD
SCHEMBL11271221 0.81 TTR (0.50) GPR35ALDH1A1MAPTHPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365231-B2 Compound with antitumor activity and preparation method therefor NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2008-04-29 US disclosed
US-20060241187-A1 Compound with antitumor activity and preparation method therefor NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2006-10-26 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-20060241187-A1 Compound with antitumor activity and preparation method therefor WEE1, WEE2, CYP51A1 GPR35 2929/4885ALDH1A1 206/4885HTT 4269/4885

“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.