SCHEMBL18268179

SCHEMBL18268179

COc1cc2c(cc1O)NC(=O)OC2c1cc(OC)c(C)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ EGFR P00533 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL18270539 0.90 LMNA (0.42) TP53CA2EGFRLMNAHSD17B10
SCHEMBL18270538 0.85 LMNA (0.42) TP53CA2LMNACYP2D6HSD17B10
SCHEMBL18268180 0.80 CA2 (0.44) CA2L3MBTL1CYP19A1LMNAHSD17B10
SCHEMBL19669615 0.78 ERN1 (0.38) TP53CA2LMNACYP2D6ALDH1A1
SCHEMBL18268181 0.75 LMNA (0.38) TP53CA2GAALMNAHSD17B10
SCHEMBL18268191 0.73 CA2 (0.41) CA2GAACYP19A1LMNAHSD17B10
SCHEMBL18268183 0.72 CA2 (0.39) TP53CA2LMNAALDH1A1MEN1
SCHEMBL18268205 0.69 ALDH1A1 (0.47) TP53CA2GAALMNAHSD17B10
SCHEMBL18268184 0.69 CA2 (0.42) TP53CA2L3MBTL1GAALMNA
SCHEMBL18268193 0.68 CA2 (0.39) CA2GAACYP19A1LMNACDK1

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 TP53 348/4885CA2 3158/4885EGFR 1750/4885

“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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