SCHEMBL5838889

SCHEMBL5838889

COc1cc(OC)cc(C(=O)CO)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 2/20 0.48
ABCG2 Q9UNQ0 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
RXRA P19793 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
NQO2 P16083 1/20 0.43
TSHR P16473 1/20 0.42
GSK3B P49841 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL11998008 0.88 RXRA (0.47) KDM4EGAASMN1; SMN2POLBRXRA
SCHEMBL11074258 0.87 KDM4E (0.40) KDM4EGAAALDH1A1ABCG2SMN1; SMN2
SCHEMBL29060616 0.83 GAA (0.47) KDM4EGAAALDH1A1ABCG2SMN1; SMN2
SCHEMBL846394 0.83 KMT2A (0.58) KDM4EGAAALDH1A1ABCG2SMN1; SMN2
SCHEMBL9033112 0.81 ALOX5 (0.49) ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL9718856 0.81 BACE1 (0.45) KDM4EGAAALDH1A1ABCG2KMT2A
SCHEMBL10497616 0.81 KDM4E (0.49) KDM4EGAAALDH1A1ABCG2SMN1; SMN2
SCHEMBL333513 0.81 GSK3B (0.66) KDM4EGAAALDH1A1ABCG2SMN1; SMN2
SCHEMBL29588852 0.80 CES2 (0.67) ALDH1A1ABCG2SMN1; SMN2KMT2APOLB
SCHEMBL1305114 0.80 CES2 (0.67) ALDH1A1ABCG2SMN1; SMN2KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122573-B2 Analogs of green tea polyphenols as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2006-10-17 US disclosed
US-7109236-B2 Analogs of green tea polyphenols as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2006-09-19 US disclosed
EP-1581512-A2 ANALOGS OF GREEN TEA POLYPHENOLS AS CHEMOTHERAPEUTIC AND CHEMOPREVENTIVE AGENTS SRI INTERNATIONAL (US) 2005-10-05 EP disclosed
US-20040192723-A1 Analogs of green tea polyphenols as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL 2004-09-30 US disclosed
WO-2004052873-A9 ANALOGS OF GREEN TEA POLYPHENOLS AS CHEMOTHERAPEUTIC AND CHEMOPREVENTIVE AGENTS STANFORD RES INST INT (US) 2004-08-12 WO disclosed
WO-2004052873-A2 ANALOGS OF GREEN TEA POLYPHENOLS AS CHEMOTHERAPEUTIC AND CHEMOPREVENTIVE AGENTS SRI INTERNATIONAL (US) 2004-06-24 WO disclosed
US-20040110790-A1 Analogs of green tea polyphenols as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL 2004-06-10 US disclosed
US-RE37729-E1 4-Heteroaryl-1-piperidinealkylamines and derivatives thereof and their therapeutic utility AVENTIS PHARMACEUTICALS INC. 2002-06-04 US disclosed
US-6251907-B1 1-(aryloxyalkyl)-4-(heteroaryl) piperazines and related compounds useful as antipsychotics and analgesics AVENTIS PHARMACEUTICALS INC. 2001-06-26 US disclosed
CN-1274354-A Robustaflavone, intermediates and analogues and method for prepn. method MEDICHEM RES INC (US) 2000-11-22 CN disclosed
CN-1148593-A Production method for chromone derivative and its medicinal composition KUREHA CHEMICAL IND CO LTD (JP) 1997-04-30 CN 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 (2 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-20040192723-A1 Analogs of green tea polyphenols as chemotherapeutic and chemopreventive agents TEAD4, TEAD3, TEAD1 KDM4E 1321/4885GAA 2353/4885ALDH1A1 107/4885
US-20040110790-A1 Analogs of green tea polyphenols as chemotherapeutic and chemopreventive agents TEAD4, TEAD3, TEAD1 KDM4E 1321/4885GAA 2353/4885ALDH1A1 107/4885

“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.