SCHEMBL18268183

SCHEMBL18268183

COc1cc(C2OC(=O)Nc3c(Br)cc(Br)cc32)cc(OC)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ GRIN3A Q8TCU5 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ ERN1 O75460 2/20 0.30
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ PRNP P04156 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL18268207 0.90 CA2 (0.39) CA2ALDH1A1MEN1KMT2ATP53
SCHEMBL18268193 0.81 CA2 (0.39) CA2ALDH1A1MEN1KMT2AMAPT
SCHEMBL18268191 0.77 CA2 (0.41) CA2ALDH1A1NPSR1LMNA
SCHEMBL18268180 0.73 CA2 (0.44) CA2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL18268184 0.73 CA2 (0.42) CA2ALDH1A1MEN1KMT2ATP53
SCHEMBL18268208 0.72 KDM4E (0.41) CA2ALDH1A1MEN1KMT2ATP53
SCHEMBL18268179 0.72 TP53 (0.40) CA2ALDH1A1MEN1KMT2ATP53
SCHEMBL18270510 0.68 KDM4E (0.43) CA2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11039051 0.66 CA2 (0.60) CA2ALDH1A1MEN1KMT2ATP53
SCHEMBL12598548 0.65 PTGS2 (0.32) —

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 3158/4885ALDH1A1 4856/4885MEN1 3157/4885

“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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