SCHEMBL18268192

SCHEMBL18268192

COc1cc(C2CC(=O)Nc3ccccc32)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.69
▸ MAPK1 P28482 3/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ TSHR P16473 4/20 0.57
▸ TP53 P04637 2/20 0.56
▸ RECQL P46063 1/20 0.56
▸ GAA P10253 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ PKM P14618 1/20 0.52

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
SCHEMBL18268200 0.84 LMNA (0.49) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL880441 0.79 MEN1 (0.69) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL880268 0.78 LMNA (0.61) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL6855803 0.77 LMNA (0.54) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL18268182 0.77 MEN1 (0.55) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL12698524 0.77 ALDH1A1 (0.83) LMNAMAPK1ALDH1A1SMN1; SMN2TSHR
SCHEMBL880376 0.77 ALDH1A1 (0.58) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL12698414 0.77 ALDH1A1 (0.58) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL7156373 0.77 ALDH1A1 (0.58) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10090757 0.76 GAA (0.78) MAPK1ALDH1A1KMT2ATSHRTP53

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-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-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
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 LMNA 797/4885MAPK1 1087/4885ALDH1A1 4856/4885

“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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