SCHEMBL4056455

SCHEMBL4056455

COc1ccc(C=O)cc1OCCN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HTR2C P28335 4/20 0.57
HTR2B P41595 3/20 0.57
FDPS P14324 1/20 0.57
SYK P43405 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LRRK2 Q5S007 1/20 0.54
NPC1 O15118 1/20 0.53
TSHR P16473 1/20 0.53
HTR2A P28223 1/20 0.53
KMT2A Q03164 1/20 0.52
RAB9A P51151 1/20 0.52
HIF1AN Q9NWT6 1/20 0.52
TDP1 Q9NUW8 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
SCHEMBL29570200 0.95 ALDH1A1 (0.65) ALDH1A1FDPSSYKSMN1; SMN2KDM4E
SCHEMBL4048998 0.95 ALDH1A1 (0.65) ALDH1A1FDPSSYKSMN1; SMN2KDM4E
SCHEMBL3435152 0.94 ALDH1A1 (0.58) ALDH1A1HTR2CHTR2BFDPSSMN1; SMN2
Hydrochloric Acid SCHEMBL5692356 0.94 ALDH1A1 (0.64) ALDH1A1FDPSSYKSMN1; SMN2KDM4E
SCHEMBL29038397 0.90 FDPS (0.60) ALDH1A1HTR2CHTR2BFDPSSMN1; SMN2
SCHEMBL19782691 0.89 ALDH1A1 (0.53) ALDH1A1HTR2CHTR2BFDPSSYK
SCHEMBL14216877 0.89 ALDH1A1 (0.64) ALDH1A1FDPSSMN1; SMN2KDM4ELMNA
SCHEMBL30462836 0.89 ALDH1A1 (0.64) ALDH1A1FDPSSMN1; SMN2KDM4ELMNA
SCHEMBL11951009 0.89 SYK (0.54) ALDH1A1HTR2CHTR2BSYKSMN1; SMN2
SCHEMBL29038426 0.88 FDPS (0.58) ALDH1A1HTR2CHTR2BFDPSSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773843-A4 SMALL MOLECULE THIENOPYRIMIDINE-BASED PROTEIN TYROSINE KINASE INHIBITORS UNIV TEXAS (US) 2009-06-03 EP claimed
EP-1773843-A1 SMALL MOLECULE THIENOPYRIMIDINE-BASED PROTEIN TYROSINE KINASE INHIBITORS The Board of Regents of The University of Texas System (US) 2007-04-18 EP claimed
WO-2006014404-A1 SMALL MOLECULE THIENOPYRIMIDINE-BASED PROTEIN TYROSINE KINASE INHIBITORS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-02-09 WO claimed
US-20060004002-A1 Small molecule thienopyrimidine-based protein tyrosine kinase inhibitors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-01-05 US claimed
CN-116283936-A Substituted amino ether-containing 2, 2-dimethyl benzopyran derivative and salt or solvate thereof, preparation and application thereof, and composition 沈阳药科大学 2023-06-23 CN disclosed
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US disclosed
EP-1773843-A4 SMALL MOLECULE THIENOPYRIMIDINE-BASED PROTEIN TYROSINE KINASE INHIBITORS UNIV TEXAS (US) 2009-06-03 EP disclosed
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 EP disclosed
EP-1773843-A1 SMALL MOLECULE THIENOPYRIMIDINE-BASED PROTEIN TYROSINE KINASE INHIBITORS The Board of Regents of The University of Texas System (US) 2007-04-18 EP disclosed
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 US disclosed
WO-2006014404-A1 SMALL MOLECULE THIENOPYRIMIDINE-BASED PROTEIN TYROSINE KINASE INHIBITORS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-02-09 WO disclosed
US-20060004002-A1 Small molecule thienopyrimidine-based protein tyrosine kinase inhibitors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-01-05 US disclosed
US-5958929-A CONGESTIVE HEART FAILURE; HYPOTENSIVE AGENTS SANOFI (FR) 1999-09-28 US disclosed
EP-0813534-A4 6-ARYL PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP INC (US) 1998-06-10 EP disclosed
US-5736548-A CYCLIC GUANOSINE 3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; TREATING HEART FAILURE, HYPERTENSION SANOFI (FR) 1998-04-07 US disclosed
EP-0813534-A1 6-ARYL PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI PHARMACEUTICALS, INC. (US) 1997-12-29 EP disclosed
WO-1996028448-A1 6-ARYL PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-09-19 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-20060004002-A1 Small molecule thienopyrimidine-based protein tyrosine kinase inhibitors SRC, LCK, FYN ALDH1A1 4583/4885HTR2C 3031/4885HTR2B 2910/4885
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES GOT1, PPARG, PPARA ALDH1A1 62/4885HTR2C 3193/4885HTR2B 3491/4885
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 ALDH1A1 3975/4885HTR2C 4307/4885HTR2B 4542/4885

“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.