SCHEMBL339657

SCHEMBL339657

C[Sn](C)(C)c1cccc(C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
UNG P13051 1/20 0.44
CYP2A6 P11509 3/20 0.42
SRC P12931 1/20 0.39
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
MAOA P21397 5/20 0.38
MAOB P27338 5/20 0.38
BRD4 O60885 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP2A13 Q16696 1/20 0.35

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
SCHEMBL5951672 0.78 TP53 (0.54) ALDH1A1TDP1TSHRPTGS2
SCHEMBL15267169 0.75 ACHE (0.35)
Isophthalic Dicarboxaldehyde SCHEMBL180566 0.75 ALDH1A1 (0.67) ALDH1A1UNGCYP2A6SRCTRIM24
Isophthalic Dicarboxaldehyde SCHEMBL4952540 0.75 ALDH1A1 (0.67) ALDH1A1UNGCYP2A6SRCTRIM24
Isophthalic Dicarboxaldehyde SCHEMBL16267528 0.74 ALDH1A1 (0.58) ALDH1A1UNGCYP2A6SRCTRIM24
Isophthalic Dicarboxaldehyde SCHEMBL28611144 0.73 ALDH1A1 (0.67) ALDH1A1UNGCYP2A6SRCTRIM24
SCHEMBL340725 0.72 ALDH1A1 (0.39) ALDH1A1UNGCYP2A6SRCTRIM24
SCHEMBL996868 0.72 CYP2A6 (0.52) ALDH1A1CYP2A6TRIM24TRIM33RAB9A
Isophthalic Dicarboxaldehyde SCHEMBL4304012 0.71 ALDH1A1 (0.63) ALDH1A1UNGCYP2A6SRCTRIM24
Isophthalic Dicarboxaldehyde SCHEMBL20477528 0.71 ALDH1A1 (0.61) ALDH1A1UNGCYP2A6SRCTRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723139-B1 CELL TARGETING CONJUGATES PETER MACCALLUM CANCER INST (AU) 2014-01-01 EP disclosed
US-8097238-B2 Cell targeting conjugates PETER MACCALLUM CANCER INSTITUTE (AU) 2012-01-17 US disclosed
US-20070140970-A1 Cell targeting conjugates PETER MACCALLUM CANCER INSTITUTE 2007-06-21 US disclosed
EP-1723139-A1 CELL TARGETING CONJUGATES PETER MacCALLUM CANCER INSTITUTE (AU) 2006-11-22 EP disclosed
WO-2005082894-A1 CELL TARGETING CONJUGATES PETER MACCALLUM CANCER INSTITUTE (AU) 2005-09-09 WO 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-20070140970-A1 Cell targeting conjugates CD47, CD74, CD2 ALDH1A1 1727/4885UNG 153/4885CYP2A6 3424/4885

“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.