SCHEMBL442438

SCHEMBL442438

CC(=O)OCc1ccccc1C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ERN1 O75460 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
TLR6 Q9Y2C9 1/20 0.40

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
SCHEMBL27335502 0.90 ALDH1A1 (0.46) ALDH1A1CYP3A4KMT2ATDP1MEN1
SCHEMBL61037 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4KMT2ALMNASMN1; SMN2
SCHEMBL1232543 0.83 ALDH1A1 (0.42) ALDH1A1CYP3A4KMT2APTGDR2L3MBTL1
SCHEMBL5255523 0.82 ALDH1A1 (0.65) ALDH1A1CYP3A4KMT2ALMNASMN1; SMN2
SCHEMBL17491378 0.82 LMNA (0.41) ALDH1A1KMT2ATDP1MEN1LMNA
SCHEMBL10890376 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4KMT2AMEN1LMNA
Trimethylammonium SCHEMBL23711255 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4KMT2ALMNASMN1; SMN2
Alcohol SCHEMBL11693989 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4KMT2AMEN1LMNA
SCHEMBL1268573 0.79 PTGDR2 (0.39) ALDH1A1KMT2ATDP1MEN1LMNA
SCHEMBL878376 0.79 PPARG (0.58) ALDH1A1KMT2ATDP1LMNAPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6541626-B2 Protecting/blocking the exocyclic amino function of purine nucleosides without effecting hydroxyl groups of sugar moieties via forming activated ester ISIS PHARMACEUTICALS, INC. 2003-04-01 US claimed
US-20030022862-A1 Process for selective N-acylation of purine nucleosides ALLAHABAD, UNIVERSITY OF (IN) 2003-01-30 US claimed
WO-2002083702-A1 PROCESS FOR SELECTIVE N-ACYLATION OF PURINE NUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 2002-10-24 WO claimed
EP-0648220-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA, Jyoti (SE) 1995-04-19 EP claimed
WO-1993025566-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA JYOTI (SE) 1993-12-23 WO claimed
CN-117986153-A Ionizable cationic lipid compound, and preparation method and application thereof 晟迪生物医药(苏州)有限公司 2024-05-07 CN disclosed
US-9884885-B2 Synthesis of labile base protected-modified deoxy and modified ribo nucleosides, corresponding phosphoramidites and supports and their use in high purity oligonucleotide synthesis CHEMGENES CORPORATION (US) 2018-02-06 US disclosed
CN-103068834-B Phosphoramidites for reverse RNA synthesis 坎姆根公司 2016-10-26 CN disclosed
US-9273149-B2 Methods and compositions for determining the purity of chemically synthesized nucleic acids VERI-Q, INC. (US) 2016-03-01 US disclosed
US-8981076-B2 Synthesis of N-FMOC protected deoxy nucleosides, ribo nucleosides, modified deoxy and ribo nucleosides, and phosphoramidites, and their use in oligonucleotide synthesis CHEMGENES CORPORATION (US) 2015-03-17 US disclosed
US-20140193855-A1 METHODS AND COMPOSITIONS FOR DETERMINING THE PURITY OF CHEMICALLY SYNTHESIZED NUCLEIC ACIDS VERI-Q, INC. (US) 2014-07-10 US disclosed
US-8697355-B2 Methods and compositions for determining the purity of chemically synthesized nucleic acids NORTH CAROLINA STATE UNIVERSITY (US) 2014-04-15 US disclosed
EP-1242459-A1 METHODS AND COMPOSITIONS FOR DETERMINING THE PURITY OF CHEMICALLY SYNTHESIZED NUCLEIC ACIDS NORTH CAROLINA STATE UNIVERSITY (US) 2002-09-25 EP disclosed
US-20020045167-A1 Used for detecting incomplete deprotection of a synthetic oligonucleotide by immunoassay VERI-Q, INC. 2002-04-18 US disclosed
WO-2001049745-A9 METHODS AND COMPOSITIONS FOR DETERMINING THE PURITY OF CHEMICALLY SYNTHESIZED NUCLEIC ACIDS UNIV NORTH CAROLINA STATE (US) 2001-09-20 WO disclosed
WO-2001049745-A1 METHODS AND COMPOSITIONS FOR DETERMINING THE PURITY OF CHEMICALLY SYNTHESIZED NUCLEIC ACIDS NORTH CAROLINA STATE UNIVERSITY (US) 2001-07-12 WO disclosed
EP-0991777-A1 NUCLEIC ACID BIOSENSOR DIAGNOSTICS Krull, Ulrich J. (CA) 2000-04-12 EP disclosed
US-6015886-A ANTISENSE AGENTS WITH MODIFICATIONS INCLUDING P-ALKOXY AND 2'-O-METHYL GROUPS; NUCLEASE RESISTANT, ABILITY TO ACTIVATE BACTERIAL RIBONUCLEASE H, FORM STABLE DUPLEXES WITH RNA, AND HAVE STRONG HYDROPHOBICITY FOR EFFICIENT CELLULAR UPTAKE CHEMGENES CORPORATION (US) 2000-01-18 US disclosed
WO-1998058079-A1 NUCLEIC ACID BIOSENSOR DIAGNOSTICS KRULL ULRICH J (CA) 1998-12-23 WO disclosed
US-4593033-A Cardiovascular disorders MERCK & CO., INC. (US) 1986-06-03 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 (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-20140193855-A1 METHODS AND COMPOSITIONS FOR DETERMINING THE PURITY OF CHEMICALLY SYNTHESIZED NUCLEIC ACIDS RNGTT, NOP2, DCLRE1B ALDH1A1 4333/4885CYP3A4 4812/4885KMT2A 2366/4885
US-20030022862-A1 Process for selective N-acylation of purine nucleosides PNP, NUDT1, ADAR ALDH1A1 2917/4885CYP3A4 2872/4885KMT2A 2513/4885

“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.