SCHEMBL18268205

SCHEMBL18268205

COc1cc(C2OC(=O)Nc3ccccc32)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ KDM4E B2RXH2 6/20 0.46
▸ HPGD P15428 4/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ BLM P54132 1/20 0.41

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
SCHEMBL17001498 0.91 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPK1KDM4E
SCHEMBL18268180 0.90 CA2 (0.44) ALDH1A1MEN1KMT2AMAPK1KDM4E
SCHEMBL18270510 0.80 KDM4E (0.43) ALDH1A1MEN1KMT2AMAPK1KDM4E
SCHEMBL18270538 0.80 LMNA (0.42) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL18270539 0.80 LMNA (0.42) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL18268186 0.78 KDM4E (0.48) ALDH1A1MEN1KMT2AMAPK1KDM4E
SCHEMBL18268202 0.78 KDM4E (0.48) ALDH1A1MEN1KMT2AMAPK1KDM4E
SCHEMBL18268188 0.78 KDM4E (0.48) ALDH1A1MEN1KMT2AMAPK1KDM4E
SCHEMBL18268208 0.77 KDM4E (0.41) ALDH1A1MEN1KMT2AMAPK1KDM4E
SCHEMBL18268181 0.75 LMNA (0.38) ALDH1A1MEN1KMT2AKDM4EHPGD

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 ALDH1A1 4856/4885MEN1 3157/4885KMT2A 3534/4885

“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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