SCHEMBL18270510

SCHEMBL18270510

COc1cc(C2OC(=O)Nc3c2cc(OC)c2ccccc32)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ TLR4 O00206 7/20 0.41
▸ CA2 P00918 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ HKDC1 Q2TB90 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PTGES O14684 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ POLB P06746 2/20 0.37

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
SCHEMBL18268191 0.91 CA2 (0.41) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL18268208 0.90 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL18268202 0.86 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL18268188 0.86 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL18268186 0.86 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL18268193 0.81 CA2 (0.39) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL18268205 0.80 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL17001453 0.79 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10TLR4
SCHEMBL19669617 0.78 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL19669613 0.78 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102567-B1 INHIBITORS OF PAXILLIN FUNCTION AND RELATED COMPOSITIONS AND METHODS UNIV TENNESSEE RES FOUND (US) 2019-07-17 — — EP disclosed
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 KDM4E 3086/4885ALDH1A1 4856/4885HPGD 4273/4885

“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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