SCHEMBL442437

SCHEMBL442437

CC(=O)OCc1ccccc1[C]=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 2/20 0.37
FFAR1 O14842 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL4618290 0.84 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ATSHRCASP3
SCHEMBL17941764 0.84 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ATSHRCASP3
SCHEMBL5255523 0.82 ALDH1A1 (0.65) ALDH1A1RAB9AMAPTL3MBTL1CYP1A2
SCHEMBL1268572 0.79 ALDH1A1 (0.37) ALDH1A1NPC1RAB9ATSHRCASP3
SCHEMBL878375 0.79 PPARG (0.58) ALDH1A1NPC1RAB9ATSHRCASP3
SCHEMBL17729329 0.79 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ATSHRCASP3
SCHEMBL7677777 0.77 FFAR1 (0.47) ALDH1A1TSHRL3MBTL1KDM4EHSD17B10
SCHEMBL11580414 0.77 ALDH1A1 (0.59) ALDH1A1TSHRMAPTL3MBTL1CYP1A2
SCHEMBL7185506 0.76 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL7675499 0.76 ALDH1A1 (0.57) ALDH1A1RAB9AMAPTL3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 US disclosed
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
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 EP disclosed
US-20200308197-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF MELINTA SUBSIDIARY CORP. 2020-10-01 US disclosed
EP-3704130-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF Melinta Therapeutics, Inc. (US) 2020-09-09 EP disclosed
US-10669292-B2 Synthesis of boronate salts and uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2020-06-02 US disclosed
EP-3604316-A1 SYNTHESIS OF BORONATE SALTS Rempex Pharmaceuticals, Inc. (US) 2020-02-05 EP disclosed
US-20200031851-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF MELINTA SUBSIDIARY CORP. 2020-01-30 US disclosed
US-6503711-B1 Nucleic acid biosensor diagnostics KRULL ULRICH J (CA) 2003-01-07 US disclosed
WO-2002083702-A1 PROCESS FOR SELECTIVE N-ACYLATION OF PURINE NUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 2002-10-24 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20200031851-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF BTD, BCL6B, BRI3BP ALDH1A1 3175/4885NPC1 680/4885RAB9A 1994/4885
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 ALDH1A1 69/4885NPC1 1287/4885RAB9A 3139/4885
US-10669292-B2 Synthesis of boronate salts and uses thereof BTD, BCL6B, BRI3BP ALDH1A1 3175/4885NPC1 680/4885RAB9A 1994/4885
US-20200308197-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF ADH5, ADH1A, ADH7 ALDH1A1 69/4885NPC1 1287/4885RAB9A 3139/4885

“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.