SCHEMBL17929366

SCHEMBL17929366

COC(=O)c1cccc2oc(-c3cccc4oc(-c5ccc([N+](=O)[O-])cc5)nc34)nc12

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.74
MMP2 P08253 4/20 0.48
MMP9 P14780 4/20 0.48
MMP8 P22894 4/20 0.48
MMP13 P45452 4/20 0.48
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR3A P46098 5/20 0.42
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
CYP3A4 P08684 1/20 0.40
KCNH2 Q12809 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL7022264 0.95 TOP2A (0.65) TOP2AMMP2MMP9MMP8MMP13
SCHEMBL8666363 0.92 TOP2A (0.64) TOP2AMMP2MMP9MMP8MMP13
SCHEMBL17929365 0.90 TOP2A (0.72) TOP2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17929350 0.86 TOP2A (0.83) TOP2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17929361 0.86 TOP2A (0.83) TOP2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17929348 0.86 TOP2A (1.00) TOP2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17929364 0.85 TOP2A (0.71) TOP2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17929353 0.85 TOP2A (0.81) TOP2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17931471 0.85 TOP2A (0.81) TOP2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17929354 0.85 TOP2A (0.81) TOP2ANPC1RAB9ASMN1; SMN2ALDH1A1

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-20160207909-A1 Synthesis Method of Anti-Cancer Drug UK-1 and Derivatives Thereof HUANG YUNG-TZUNG (TW) 2016-07-21 US disclosed
US-20160207909-A1 Synthesis Method of Anti-Cancer Drug UK-1 and Derivatives Thereof HUANG YUNG-TZUNG (TW) 2016-07-21 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-20160207909-A1 Synthesis Method of Anti-Cancer Drug UK-1 and Derivatives Thereof ALDH7A1, ADH1A, ALDH1A1 TOP2A 300/4885MMP2 429/4885MMP9 706/4885

“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.