SCHEMBL18270509

SCHEMBL18270509

COc1cc(C2OC(=O)Nc3c2ccc2ccccc32)cc(OC)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ POLB P06746 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CA2 P00918 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PKM P14618 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.38

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
SCHEMBL18268196 0.94 MEN1 (0.39) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL18268202 0.90 KDM4E (0.48) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL18268186 0.90 KDM4E (0.48) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL18268184 0.90 CA2 (0.42) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL18268188 0.90 KDM4E (0.48) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL17001453 0.84 KDM4E (0.42) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL19669613 0.83 KDM4E (0.41) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL19669616 0.83 KDM4E (0.41) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL19669617 0.83 KDM4E (0.41) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL18268185 0.82 ALDH1A1 (0.39) MEN1KMT2AMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102567-B1 INHIBITORS OF PAXILLIN FUNCTION AND RELATED COMPOSITIONS AND METHODS UNIV TENNESSEE RES FOUND (US) 2019-07-17 — — EP disclosed
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 MEN1 3157/4885KMT2A 3534/4885POLB 2141/4885

“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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