SCHEMBL2945580

SCHEMBL2945580

O=C(Cl)c1ccccc1CS

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 2/20 0.48
FOLH1 Q04609 6/20 0.47
IDO1 P14902 1/20 0.46
DCLRE1B Q9H816 2/20 0.42
DCLRE1A Q6PJP8 1/20 0.42
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
MAPT P10636 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
AKR1B1 P15121 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL30085334 0.82 ALDH1A1 (0.52) ALDH1A1ALOX15FOLH1CES2CES1
SCHEMBL14570821 0.82 ALDH1A1 (0.52) ALDH1A1ALOX15FOLH1CES2CES1
SCHEMBL28036645 0.82 IDO1 (0.42) ALDH1A1ALOX15FOLH1IDO1DCLRE1B
SCHEMBL2356669 0.80 FOLH1 (0.70) ALDH1A1ALOX15FOLH1DCLRE1BDCLRE1A
Benzene SCHEMBL1931924 0.80 FOLH1 (0.70) ALDH1A1ALOX15FOLH1DCLRE1BDCLRE1A
SCHEMBL152624 0.80 ALDH1A1 (0.50) ALDH1A1ALOX15FOLH1CES2CES1
SCHEMBL1021198 0.80 ALDH1A1 (0.50) ALDH1A1ALOX15FOLH1TSHRTP53
SCHEMBL12765935 0.80 HPGD (0.52) ALDH1A1ALOX15FOLH1CES2CES1
SCHEMBL1792164 0.78 ALDH1A1 (0.48) ALDH1A1ALOX15FOLH1CES2CES1
SCHEMBL19119977 0.78 ALDH1A1 (0.48) ALDH1A1ALOX15FOLH1CES2CES1

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
EP-2567964-B1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES INC (US) 2015-02-11 EP disclosed
US-8552174-B2 Solutions, methods, and processes for deprotection of polynucleotides AGILENT TECHNOLOGIES, INC. (US) 2013-10-08 US disclosed
EP-2567964-A2 Monomer Compositions for the Synthesis of RNA, Methods of Synthesis, and Methods of Deprotection Agilent Technologies, Inc. (US) 2013-03-13 EP disclosed
US-8202985-B2 Monomer compositions for the synthesis of polynucleotides, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES, INC. (US) 2012-06-19 US disclosed
US-7759471-B2 nucleotide monomer used to make protected RNA that has similar stability to the DNA molecule AGILENT TECHNOLOGIES, INC. (US) 2010-07-20 US disclosed
EP-2001896-A2 MONOMER COMPOSITIONS FOR THE SYNTHESIS OF RNA, METHODS OF SYNTHESIS, AND METHODS OF DEPROTECTION Agilent Technologies, Inc. (US) 2008-12-17 EP disclosed
WO-2007112263-A2 MONOMER COMPOSITIONS FOR THE SYNTHESIS OF RNA, METHODS OF SYNTHESIS, AND METHODS OF DEPROTECTION AGILENT TECHNOLOGIES, INC. (US) 2007-10-04 WO disclosed
EP-1792909-A1 Synthesis of polynucleotides Agilent Technologies, Inc. (US) 2007-06-06 EP disclosed
US-20070100138-A1 Monomer compositions for the synthesis of polynucleotides, methods of synthesis, and methods of deprotection THE REGENTS OF THE UNIVERSITY OF COLORADO 2007-05-03 US disclosed
US-20070100137-A1 Solutions, methods, and processes for deprotection of polynucleotides THE REGENTS OF THE UNIVERSITY OF COLORADO 2007-05-03 US disclosed
US-20070100136-A1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES, INC. 2007-05-03 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 (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-20070100136-A1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection RNGTT, RNMT, NSUN2 ALDH1A1 3649/4885ALOX15 1431/4885FOLH1 2514/4885
US-20070100138-A1 Monomer compositions for the synthesis of polynucleotides, methods of synthesis, and methods of deprotection POLN, NT5C3B, PCNA ALDH1A1 4074/4885ALOX15 1798/4885FOLH1 2055/4885
US-20070100137-A1 Solutions, methods, and processes for deprotection of polynucleotides POLN, POLRMT, POLM ALDH1A1 3698/4885ALOX15 4213/4885FOLH1 1033/4885

“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.