SCHEMBL18268180

SCHEMBL18268180

COc1cc(C2OC(=O)Nc3ccccc32)cc(OC)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 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
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ABCB1 P08183 2/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL18268205 0.90 ALDH1A1 (0.47) CA2PDE4APDE4BPDE4CPDE4D
SCHEMBL17001498 0.83 ALDH1A1 (0.40) CA2PDE4APDE4BPDE4CPDE4D
SCHEMBL18268191 0.80 CA2 (0.41) CA2PDE4APDE4BPDE4CPDE4D
SCHEMBL18268179 0.80 TP53 (0.40) CA2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL18268184 0.78 CA2 (0.42) CA2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL18268193 0.77 CA2 (0.39) CA2ALDH1A1KDM4EMAPTHPGD
SCHEMBL14001858 0.74 PBRM1 (0.47) CA2ALDH1A1KDM4EMAPTHPGD
SCHEMBL18268183 0.73 CA2 (0.39) CA2ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL10959402 0.72 CA2 (0.51) CA2MAPTSMN1; SMN2ABCB1ABCG2
SCHEMBL28871521 0.72 CA2 (0.51) CA2ALDH1A1KDM4EHPGDMEN1

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 3158/4885PDE4A 1801/4885PDE4B 1601/4885

“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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