SCHEMBL18268184

SCHEMBL18268184

COc1cc(C2OC(=O)Nc3c2ccc2ccccc32)cc(OC)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MAPT P10636 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ BLM P54132 1/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ MYB P10242 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL18268188 0.91 KDM4E (0.48) CA2NPSR1PKMALDH1A1KDM4E
SCHEMBL18268186 0.91 KDM4E (0.48) CA2NPSR1PKMALDH1A1KDM4E
SCHEMBL18268202 0.91 KDM4E (0.48) CA2NPSR1PKMALDH1A1KDM4E
SCHEMBL18270509 0.90 MEN1 (0.41) CA2NPSR1PKMALDH1A1KDM4E
SCHEMBL18268196 0.88 MEN1 (0.39) CA2NPSR1PKMALDH1A1KDM4E
SCHEMBL18268191 0.86 CA2 (0.41) CA2NPSR1ALDH1A1KDM4ELMNA
SCHEMBL17001453 0.85 KDM4E (0.42) CA2PKMALDH1A1KDM4ELMNA
SCHEMBL19669617 0.84 KDM4E (0.41) CA2NPSR1PKMALDH1A1KDM4E
SCHEMBL19669613 0.84 KDM4E (0.41) CA2NPSR1PKMALDH1A1KDM4E
SCHEMBL19669616 0.84 KDM4E (0.41) CA2NPSR1PKMALDH1A1KDM4E

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-9834525-B2 Inhibitors of paxillin function and related compositions and methods UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2017-12-05 — — US disclosed
US-20160347725-A1 INHIBITORS OF PAXILLIN FUNCTION AND RELATED COMPOSITIONS AND METHODS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2016-12-01 — — 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-20160347725-A1 INHIBITORS OF PAXILLIN FUNCTION AND RELATED COMPOSITIONS AND METHODS CTTN, PTK2, CDC42 CA2 3158/4885NPSR1 4102/4885PKM 1871/4885

“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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