SCHEMBL3136809

SCHEMBL3136809

COC1CCN(c2ccc(C)cc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
BRD1 O95696 1/20 0.38
TAF1 P21675 1/20 0.38
BRPF1 P55201 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR3A P46098 1/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
RAD52 P43351 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL16440159 0.83 ALDH1A1 (0.43) ALDH1A1HTTHTR1AHTR3APOLB
SCHEMBL3930015 0.81 ALDH1A1 (0.33) ALDH1A1HTTCHRM2CHRM4CHRM5
SCHEMBL14804171 0.80 ALDH1A1 (0.49) ALDH1A1HTTCHRM2CHRM4CHRM1
SCHEMBL13419433 0.80 ALDH1A1 (0.53) ALDH1A1HTTCYP1A2CYP3A4HTR1A
SCHEMBL14804176 0.79 ALDH1A1 (0.40) ALDH1A1HTTCYP1A2CYP3A4HTR1A
SCHEMBL1057318 0.78 ADRB1 (0.50) ALDH1A1HTTKDM4EPOLBNOTUM
SCHEMBL21388470 0.77 ALDH1A1 (0.46) ALDH1A1HTTCYP1A2CYP3A4HTR1A
SCHEMBL12908043 0.77 ALDH1A1 (0.58) ALDH1A1HTTCYP1A2CYP3A4HTR1A
SCHEMBL28820527 0.77 ALDH1A1 (0.63) ALDH1A1HTTCYP1A2CYP3A4MAPT
SCHEMBL16825130 0.77 ALDH1A1 (0.57) ALDH1A1HTTMAPTKDM4ERAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6107039-A MIXING SAMPLE OF NUCLEIC ACID SEQUENCE TO BE ANALYZED WITH OLIGONUCLEOTIDE PROBE CONTAINING AT LEAST ONE THIOL-PROTECTED PYRIMIDINE NUCLEOTIDE, EXPOSING TO ENDONUCLEASE, AND IDENTIFYING FRAGMENTS HAVING HYBRIDIZED PROBE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2000-08-22 US claimed
US-6008334-A MODIFIED PYRIMIDINE NUCLEOSIDES/NUCLEOTIDES WITH PROTECTED THIOL GROUP ATTACHED AT 5 POSITION OF BASE THAT IS NOT INVOLVED IN WATSON-CRICK BASE PARING; FOR USE IN CHEMICAL AND ENZYMATIC SYNTHESIS OF NUCLEIC ACIDS THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 1999-12-28 US claimed
EP-0934330-A1 BASE-PROTECTED NUCLEOTIDE ANALOGS WITH PROTECTED THIOL GROUPS Hanna, Michelle M. (US) 1999-08-11 EP claimed
WO-1998003532-A9 BASE-PROTECTED NUCLEOTIDE ANALOGS WITH PROTECTED THIOL GROUPS 1998-05-28 WO claimed
WO-1998003532-A1 BASE-PROTECTED NUCLEOTIDE ANALOGS WITH PROTECTED THIOL GROUPS HANNA MICHELLE M (US) 1998-01-29 WO claimed
WO-1994001445-A1 BASE-PROTECTED NUCLEOTIDE ANALOGS WITH PROTECTED THIOL GROUPS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-01-20 WO claimed
US-8835125-B2 Methods and compositions for selective labeling of different biotinylated targets within multicolor or multilabel assays AFFYMETRIX, INC. (US) 2014-09-16 US disclosed
US-20120226027-A1 Methods and Compositions for Selective Labeling of Different Biotinylated Targets within Multicolor or Multilabel Assays AFFYMETRIX, INC. (US) 2012-09-06 US disclosed
EP-2150533-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ETHENYLPHENYL ALCOHOLS LONZA AG (CH) 2010-07-14 EP disclosed
US-20100130745-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ETHENYLPHENYL ALCOHOLS MCGARRITY JOHN 2010-05-27 US disclosed
EP-2150533-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ETHENYLPHENYL ALCOHOLS LONZA AG (CH) 2010-02-10 EP disclosed
EP-2032525-A1 DEUTERATED AMINOGLYCIDYL COMPOUNDS Auspex Pharmaceuticals Inc. (US) 2009-03-11 EP disclosed
WO-2008131932-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ETHENYLPHENYL ALCOHOLS LONZA AG (CH) 2008-11-06 WO disclosed
EP-0934330-A1 BASE-PROTECTED NUCLEOTIDE ANALOGS WITH PROTECTED THIOL GROUPS Hanna, Michelle M. (US) 1999-08-11 EP disclosed
US-5936077-A PROTECTING EXOCYCLIC AMINO GROUPS OF NUCLEOTIDE WITH A CYCLIC DIACYL GROUP; COUPLING NUCLEOTIDE TO SOLID SUPPORT; SEQUENTIALLY LINKING NUCLEOTIDES TOGETHER; DEPROTECTING WITH STRONG, NONNUCLEOPHILIC BASE IN ORGANIC SOLVENT HOECHST AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed
US-5808035-A OLIGOMER BIOSYNTHESIS USHER, DAVID A. 1998-09-15 US disclosed
WO-1998003532-A9 BASE-PROTECTED NUCLEOTIDE ANALOGS WITH PROTECTED THIOL GROUPS 1998-05-28 WO disclosed
WO-1998003532-A1 BASE-PROTECTED NUCLEOTIDE ANALOGS WITH PROTECTED THIOL GROUPS HANNA MICHELLE M (US) 1998-01-29 WO disclosed
US-5631362-A FORMING DNA AND RNA BY POLYCONDENSATION OF MONONUCLEOTIDES WITH PROTECTIVE SULFONYLALKYL DIMETHYLAMINONAPHTHALENE GROUPS FOR ALKOXY FURAN GROUPS HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-20 US disclosed
WO-1994001445-A1 BASE-PROTECTED NUCLEOTIDE ANALOGS WITH PROTECTED THIOL GROUPS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-01-20 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 (1 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-20100130745-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ETHENYLPHENYL ALCOHOLS ADH1A, ADH1C, ADH5 ALDH1A1 14/4885HTT 3290/4885BRD1 456/4885

“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.