SCHEMBL12848243

SCHEMBL12848243

O=C1C=C(CCl)C(=O)C(CCl)=C1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.31
▸ PTGS2 P35354 4/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HKDC1 Q2TB90 1/20 0.31
▸ TEK Q02763 1/20 0.31
▸ GLS2 Q9UI32 1/20 0.31

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
SCHEMBL2027891 0.72 MAOA (0.48) MEN1MAPTMAPK1KMT2A
SCHEMBL5712776 0.71 ALOX5 (0.31) ALOX5PTGS2KDM4EMEN1USP2
SCHEMBL12795822 0.71 PIM1 (0.43) ALOX5PTGS2KDM4EMEN1USP2
SCHEMBL7886293 0.67 ALOX5 (0.37) ALOX5PTGS2GLS2
SCHEMBL9624196 0.65 PTGS1 (0.35) ALOX5
SCHEMBL12795776 0.62 ALOX5 (0.31) ALOX5PTGS2KDM4EMEN1USP2
SCHEMBL26072897 0.62 ALOX5 (0.70) ALOX5PTGS2KDM4EMEN1USP2
SCHEMBL57203 0.58 MEN1 (0.50) KDM4EMEN1USP2TP53CYP3A4
SCHEMBL11431922 0.58 ALOX5 (0.45) ALOX5PTGS2KDM4EMEN1USP2
SCHEMBL27528950 0.58 ACHE (0.53) MEN1MAPTMAPK1KMT2A

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-20110053276-A1 MOLECULAR INDICATOR AND PROCESS OF SYNTHESIZING BATTELLE MEMORIAL INSTITUTE 2011-03-03 — — 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-20110053276-A1 MOLECULAR INDICATOR AND PROCESS OF SYNTHESIZING MUS81, MKI67, AOC1 ALOX5 3789/4885PTGS2 2820/4885KDM4E 1784/4885

“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.

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