SCHEMBL3345076

SCHEMBL3345076

CNC(C)(O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.54
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL10790255 0.82 ALDH1A1 (0.46) KCNN4ALDH1A1ALOX15HDAC3HDAC4
SCHEMBL2466546 0.78 ALDH1A1 (0.43) KCNN4ALDH1A1ALOX15HDAC3HDAC4
SCHEMBL2470413 0.78 ALDH1A1 (0.43) KCNN4ALDH1A1ALOX15HDAC3HDAC4
SCHEMBL14086352 0.77 KCNN4 (0.56) KCNN4ALDH1A1ALOX15HDAC3HDAC4
SCHEMBL4538530 0.76 MEN1 (0.60) MAPK1LMNAKMT2ACYP2C19HIF1A
SCHEMBL14916526 0.76 ALDH1A1 (0.41) KCNN4ALDH1A1ALOX15HDAC3HDAC4
SCHEMBL28556870 0.76 KIF11 (0.47) ALDH1A1ALOX15CYP3A4MAPK1MAPT
SCHEMBL16667616 0.76 ESR1 (0.42) ALDH1A1HDAC4HDAC2HDAC8ESR1
SCHEMBL5049524 0.75 SLC6A4 (0.41) KCNN4ALDH1A1ALOX15HDAC3HDAC4
SCHEMBL27776663 0.75 KCNN4 (0.59) KCNN4ALDH1A1ALOX15HDAC3HDAC4

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
CN-109983128-A Oligonucleotide composition and its method 波涛生命科学有限公司 2019-07-05 CN disclosed
CN-108135921-A Oligonucleotide compositions and methods thereof 波涛生命科学有限公司 2018-06-08 CN disclosed
CN-108137492-A Oligonucleotide compositions and methods thereof 波涛生命科学有限公司 2018-06-08 CN disclosed
CN-108025089-A Oligonucleotide composition and its method 波涛生命科学有限公司 2018-05-11 CN disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-7612197-B2 Reacting a nucleophil with OH group with an electrophil to form an adduct, reacting adduct with a reagent selected from oxidizing, sulfurizing or selenizing agents to produce hydroxy protected oligonucleotide, heating to deprotect hydroxy protecting group such as 2-(2-pyridyl)aminoethoxycarbonyl The United States of America as repesented by the Secretary of the Department of Health and Human Services (US) 2009-11-03 US disclosed
US-20060281911-A1 Thermolabile hydroxyl protecting groups and methods of use GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2006-12-14 US disclosed
WO-2004101582-A2 THERMOLABILE HYDROXYL PROTECTING GROUPS AND METHODS OF USE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-11-25 WO disclosed
EP-0881210-B1 Process for the production of N,N-dialkylaminophenyl alkanols CIBA SC HOLDING AG (CH) 2001-11-21 EP disclosed
US-5962739-A Process for the preparation of N,N- dialkylaminophenyl alkanols CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-10-05 US disclosed
EP-0881210-A1 Process for the production of N,N-dialkylaminophenyl alkanols Ciba SC Holding AG (CH) 1998-12-02 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 (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-20060281911-A1 Thermolabile hydroxyl protecting groups and methods of use ADH1A, CYP2E1, ADH1C KCNN4 1067/4885ALDH1A1 315/4885ALOX15 274/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS KCNN4 4521/4885ALDH1A1 649/4885ALOX15 1993/4885

“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.