SCHEMBL1208686

SCHEMBL1208686

COc1ccc(C)cc1C=CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 4/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
JUN P05412 1/20 0.55
NFKB1 P19838 1/20 0.55
BACE1 P56817 1/20 0.53
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
ABCG2 Q9UNQ0 2/20 0.51
GAA P10253 1/20 0.51
PTGER1 P34995 1/20 0.51
PTGER4 P35408 1/20 0.51
PTGER3 P43115 1/20 0.51
PTGER2 P43116 1/20 0.51

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
SCHEMBL9230387 1.00 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL8573282 0.87 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL9222741 0.87 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL10956196 0.85 BACE1 (0.55) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL10956204 0.85 BACE1 (0.55) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL16815420 0.83 KDM4E (0.57) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL529638 0.83 JUN (0.79) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL529637 0.83 JUN (0.79) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL4683661 0.83 BACE1 (0.74) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL4683657 0.83 BACE1 (0.74) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2019-07-04 US disclosed
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-05-07 US disclosed
US-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-08-03 US disclosed
US-9670227-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-06-06 US disclosed
EP-2886545-B1 New thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2016-06-29 EP disclosed
US-20150175623-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2015-06-25 US disclosed
EP-2886545-A1 New thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2015-06-24 EP disclosed
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US disclosed
US-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES 4SC AG (DE) 2010-11-11 US disclosed
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
WO-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 WO disclosed
WO-2008020024-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2008-02-21 WO disclosed
EP-1851230-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER Nycomed GmbH (DE) 2007-11-07 EP disclosed
WO-2006125815-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 WO disclosed
WO-2006084904-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-08-17 WO disclosed
US-5382600-A 3,3-diphenylpropylamines and pharmaceutical compositions thereof PHARMACIA AKTIEBOLAG (SE) 1995-01-17 US disclosed
EP-0325571-B1 NEW AMINES, THEIR USE AND PREPARATION Kabi Pharmacia AB (SE) 1991-08-07 EP disclosed
EP-0354234-A1 NEW AMINES, THEIR USE AND PREPARATION KabiVitrum AB (SE) 1990-02-14 EP disclosed
WO-1989006644-A1 NEW AMINES, THEIR USE AND PREPARATION KABIVITRUM AB (SE) 1989-07-27 WO disclosed
EP-0325571-A1 New amines, their use and preparation Kabi Pharmacia AB (SE) 1989-07-26 EP 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 (6 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-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 ALDH1A1 2065/4885SMN1; SMN2 1945/4885KDM4E 3097/4885
US-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, CCAR2, BCL2 ALDH1A1 566/4885SMN1; SMN2 3195/4885KDM4E 1608/4885
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them TYMS, TYMP, TPX2 ALDH1A1 2065/4885SMN1; SMN2 1945/4885KDM4E 3097/4885
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES BAX, BCL2, BAD ALDH1A1 316/4885SMN1; SMN2 2135/4885KDM4E 2054/4885
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 ALDH1A1 2065/4885SMN1; SMN2 1945/4885KDM4E 3097/4885
US-20150175623-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 ALDH1A1 2065/4885SMN1; SMN2 1945/4885KDM4E 3097/4885

“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.