SCHEMBL18268193

SCHEMBL18268193

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.39
▸ TLR4 O00206 3/20 0.33
▸ ABCB1 P08183 2/20 0.33
▸ ABCG2 Q9UNQ0 2/20 0.33
▸ MAPT P10636 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ PSMD14 O00487 1/20 0.31
▸ SIRT1 Q96EB6 2/20 0.31
▸ SIRT2 Q8IXJ6 1/20 0.31
▸ SIRT5 Q9NXA8 1/20 0.31
▸ THRB P10828 1/20 0.31

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
SCHEMBL18268208 0.91 KDM4E (0.41) CA2TLR4MAPTKDM4EALDH1A1
SCHEMBL18268191 0.90 CA2 (0.41) CA2TLR4ABCB1ABCG2CYP19A1
SCHEMBL18268184 0.83 CA2 (0.42) CA2MAPTLMNAKDM4EALDH1A1
SCHEMBL18268183 0.81 CA2 (0.39) CA2MAPTLMNAALDH1A1NPSR1
SCHEMBL18270510 0.81 KDM4E (0.43) CA2TLR4MAPTKDM4EALDH1A1
SCHEMBL18268180 0.77 CA2 (0.44) CA2ABCB1ABCG2MAPTCYP19A1
SCHEMBL18268188 0.74 KDM4E (0.48) CA2TLR4MAPTLMNAKDM4E
SCHEMBL18268186 0.74 KDM4E (0.48) CA2TLR4MAPTLMNAKDM4E
SCHEMBL18268202 0.74 KDM4E (0.48) CA2TLR4MAPTLMNAKDM4E
SCHEMBL18268185 0.73 ALDH1A1 (0.39) CA2MAPTLMNAKDM4EALDH1A1

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 3158/4885TLR4 4639/4885ABCB1 3891/4885

“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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