SCHEMBL18268191

SCHEMBL18268191

COc1cc(C2OC(=O)Nc3c2cc(OC)c2ccccc32)cc(OC)c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.41
▸ LMNA P02545 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ ABCB1 P08183 2/20 0.35
▸ ABCG2 Q9UNQ0 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ TLR4 O00206 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL18270510 0.91 KDM4E (0.43) CA2KDM4EALDH1A1TLR4HPGD
SCHEMBL18268193 0.90 CA2 (0.39) CA2LMNAKDM4EALDH1A1ABCB1
SCHEMBL18268184 0.86 CA2 (0.42) CA2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL18268208 0.81 KDM4E (0.41) CA2KDM4EALDH1A1TLR4HPGD
SCHEMBL18268180 0.80 CA2 (0.44) CA2LMNAKDM4EALDH1A1ABCB1
SCHEMBL18268183 0.77 CA2 (0.39) CA2LMNAALDH1A1NPSR1
SCHEMBL18268186 0.77 KDM4E (0.48) CA2LMNAKDM4EALDH1A1TLR4
SCHEMBL18268188 0.77 KDM4E (0.48) CA2LMNAKDM4EALDH1A1TLR4
SCHEMBL18268202 0.77 KDM4E (0.48) CA2LMNAKDM4EALDH1A1TLR4
SCHEMBL18270509 0.76 MEN1 (0.41) CA2LMNAKDM4EALDH1A1ABCB1

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 3158/4885LMNA 797/4885KDM4E 3086/4885

“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.

Send feedback