SCHEMBL3673372

SCHEMBL3673372

COC1(OC)C=CC(=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 5/20 0.41
IDO1 P14902 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
AKT1 P31749 1/20 0.41
SNCA P37840 1/20 0.41
MAP2K1 Q02750 1/20 0.41
PIN1 Q13526 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
NSD1 Q96L73 1/20 0.41
EHMT1 Q9H9B1 1/20 0.41
TOP1 P11387 1/20 0.37
ALDH1A1 P00352 5/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 3/20 0.36
CDC25A P30304 3/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 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
SCHEMBL13508801 0.79 CDC25B (0.43) CDC25BIDO1MAOAMAOBAKT1
SCHEMBL30229349 0.75 IDO1 (0.46) CDC25BIDO1MAOAMAOBAKT1
SCHEMBL8893539 0.74 TOP1 (0.53) IDO1TOP1ALDH1A1LMNAMAPT
SCHEMBL6917185 0.71 IDO1 (0.52) CDC25BIDO1MAOAMAOBAKT1
SCHEMBL18838823 0.66 CDC25A (0.41) CDC25BIDO1MAOAMAOBSNCA
SCHEMBL17441737 0.65 HKDC1 (0.31) CDC25BALDH1A1LMNAMAPTCDC25A
SCHEMBL9861418 0.64 PDK2 (0.48) CDC25BIDO1MAOAMAOBAKT1
SCHEMBL11490745 0.64 MAPT (0.46) CDC25BIDO1MAOAALDH1A1LMNA
SCHEMBL17441447 0.63
SCHEMBL11493691 0.63 MAPT (0.45) CDC25BIDO1MAOAMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404659-B1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2010-02-10 EP disclosed
EP-1572197-B1 4- 1- (SULFONYL) -1H-INDOL-2-YL)-4- (HYDROXY) -CYCLOHEXA-2,5-DIENONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2009-07-29 EP disclosed
EP-1572197-B1 4- 1- (SULFONYL) -1H-INDOL-2-YL)-4- (HYDROXY) -CYCLOHEXA-2,5-DIENONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2009-07-29 EP disclosed
US-7307099-B2 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-11 US disclosed
US-7307099-B2 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-11 US disclosed
US-7307099-B2 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-11 US disclosed
US-20060287396-A1 4-aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-12-21 US disclosed
US-7144893-B2 4-aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-12-05 US disclosed
US-20060100265-A1 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-05-11 US disclosed
EP-1572197-A1 4- 1- (SULFONYL) -1H-INDOL-2-YL)-4- (HYDROXY) -CYCLOHEXA-2,5-DIENONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2005-09-14 EP disclosed
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-11-04 US disclosed
WO-2004056361-A1 4-(1-(SULFONYL)-1H-INDOL-2-YL)-4-(HYDROXY)-CYCLOHEXA-2,5-DIENONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-07-08 WO disclosed
EP-1404659-A1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2004-04-07 EP disclosed
WO-2003004479-A1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-16 WO 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 (3 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-20060100265-A1 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 CDC25B 660/4885IDO1 106/4885MAOA 281/4885
US-20060287396-A1 4-aryl quinols and analogs thereof as therapeutic agents TXNRD3, TXNRD1, TXN CDC25B 423/4885IDO1 511/4885MAOA 566/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 CDC25B 424/4885IDO1 165/4885MAOA 357/4885

“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.