SCHEMBL2884891

SCHEMBL2884891

CC(C)(C)c1cc(O)[c]c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.55
GABRB2 P47870 1/20 0.55
ALDH1A1 P00352 6/20 0.42
ALOX15 P16050 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TYR P14679 2/20 0.42
LMNA P02545 2/20 0.42
CYP2C19 P33261 2/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL93161 0.71 GABRA1 (0.69) GABRA1GABRB2ALDH1A1ALOX15HPGD
SCHEMBL18268 0.71 GABRA1 (1.00) GABRA1GABRB2ALDH1A1ALOX15HPGD
SCHEMBL123887 0.71 GABRA1 (0.88) GABRA1GABRB2ALDH1A1ALOX15HPGD
SCHEMBL10367327 0.70 ALDH1A1 (0.46) GABRA1GABRB2ALDH1A1ALOX15HPGD
SCHEMBL30897309 0.69 GABRA1 (0.94) GABRA1GABRB2ALDH1A1ALOX15HPGD
SCHEMBL201609 0.69 GABRA1 (0.57) GABRA1GABRB2ALDH1A1ALOX15HPGD
SCHEMBL14007404 0.69 GABRA1 (0.57) GABRA1GABRB2ALDH1A1ALOX15HPGD
SCHEMBL14973413 0.69 GABRA1 (0.94) GABRA1GABRB2ALDH1A1ALOX15HPGD
Hydrochloric Acid SCHEMBL7075850 0.69 GABRA1 (0.94) GABRA1GABRB2ALDH1A1ALOX15HPGD
SCHEMBL28475477 0.69 GABRA1 (0.94) GABRA1GABRB2ALDH1A1ALOX15HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101472924-A KV1.5 potassium channel inhibitors WYETH CORP (US) 2009-07-01 CN claimed
US-7402589-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-07-22 US claimed
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 US claimed
CN-1946700-A Trisubstituted ureas as cytokine inhibitors PROCTER & GAMBLE (US) 2007-04-11 CN claimed
EP-1737830-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS The Procter and Gamble Company (US) 2007-01-03 EP claimed
WO-2005105757-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-11-10 WO claimed
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 US claimed
US-7803827-B2 1-N-amino-2-imidazolidinones and derivatives thereof which are effective as Kv1.5 potassium channel inhibitors providing atrial-selective antiarrhythmic agents; 1-(aminosulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(3,4-dimethylphenyl)-2-imidazolidinone WYETH LLC (US) 2010-09-28 US disclosed
CN-101573341-A Imidazolidinone Kv1.5 potassium channel inhibitors WYETH CORP (US) 2009-11-04 CN disclosed
CN-101472924-A KV1.5 potassium channel inhibitors WYETH CORP (US) 2009-07-01 CN disclosed
US-7504517-B2 Kv1.5 potassium channel inhibitors WYETH (US) 2009-03-17 US disclosed
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-03-12 US disclosed
US-7402589-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-07-22 US disclosed
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 US disclosed
US-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 US disclosed
CN-1946700-A Trisubstituted ureas as cytokine inhibitors PROCTER & GAMBLE (US) 2007-04-11 CN disclosed
EP-1737830-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS The Procter and Gamble Company (US) 2007-01-03 EP disclosed
WO-2005105757-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-11-10 WO disclosed
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 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 (4 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-20050245555-A1 Tri-substituted ureas as cytokine inhibitors IL1B, IL1A, IL6 GABRA1 3746/4885GABRB2 3533/4885ALDH1A1 455/4885
US-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 GABRA1 658/4885GABRB2 760/4885ALDH1A1 2088/4885
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNA5, KCNH1, KCNK5 GABRA1 571/4885GABRB2 806/4885ALDH1A1 888/4885
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 GABRA1 658/4885GABRB2 760/4885ALDH1A1 2088/4885

“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.