SCHEMBL875440

SCHEMBL875440

CC(C)([C]=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
TDP1 Q9NUW8 2/20 0.56
HTT P42858 2/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
RECQL P46063 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 6/20 0.47
HPGD P15428 2/20 0.46
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 4/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.41
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 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
SCHEMBL1554822 0.82 ALDH1A1 (0.63) ALDH1A1TDP1HTTRAB9ANPC1
SCHEMBL19877863 0.79 ALDH1A1 (0.59) ALDH1A1TDP1HTTRAB9ANPC1
SCHEMBL28119886 0.79 ALDH1A1 (0.59) ALDH1A1TDP1HTTRAB9ANPC1
SCHEMBL875441 0.77 ALDH1A1 (0.56) ALDH1A1TDP1HTTRAB9ANPC1
SCHEMBL7919545 0.75 ALDH1A1 (0.54) ALDH1A1TDP1HTTRAB9ANPC1
SCHEMBL8690865 0.75 ALDH1A1 (0.57) ALDH1A1TDP1HTTRAB9ANPC1
SCHEMBL29469206 0.75 ALDH1A1 (0.58) ALDH1A1TDP1HTTRAB9ANPC1
SCHEMBL6112961 0.75 ALDH1A1 (0.58) ALDH1A1TDP1HTTRAB9ANPC1
SCHEMBL28151238 0.75 ALDH1A1 (0.46) ALDH1A1TDP1HTTRAB9ANPC1
SCHEMBL3289510 0.74 ALDH1A1 (0.56) ALDH1A1TDP1HTTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214994-A1 (3-FLUORO-2-HYDROXY)PROPYL-FUNCTIONALIZED ARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR THE DIAGNOSIS OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASES FUTURECHEM CO., LTD. (KR) 2012-08-23 US claimed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US claimed
EP-0384523-B1 New gem-diamino derivatives and their use in the synthesis of retro-inverso peptides ENIRICERCHE SPA (IT) 1994-06-01 EP claimed
US-5219988-A GEM-DIAMINO DERIVATIVES AND THEIR USE IN THE SYNTHESIS OF RETRO-INVERSO PEPTIDES ENIRICERCHE S.P.A. (IT) 1993-06-15 US claimed
EP-0384523-A2 New gem-diamino derivatives and their use in the synthesis of retro-inverso peptides ENIRICERCHE S.p.A. (IT) 1990-08-29 EP claimed
JP-2255651-A None JP disclosed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 US 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-20230114064-A1 NOVEL HETEROAROMATIC SILICON-FLUORIDE-ACCEPTORS USEFUL FOR 18F LABELING OF MOLECULES AND BIOMOLECULES, AND METHODS OF PREPARING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-04-13 US disclosed
US-20200377529-A1 NOVEL HETEROAROMATIC SILICON-FLUORIDE-ACCEPTORS USEFUL FOR 18F LABELING OF MOLECULES AND BIOMOLECULES, AND METHODS OF PREPARING SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-12-03 US disclosed
US-10800797-B2 Heteroaromatic silicon-fluoride-acceptors useful for 18F labeling of molecules and biomolecules, and methods of preparing same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-10-13 US disclosed
EP-0057412-B1 PEPTIDE, PROCESS FOR PREPARATION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-05-22 EP disclosed
EP-0027260-B1 PEPTIDES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-03-13 EP disclosed
US-4504584-A PEPTIDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-03-12 US disclosed
US-4458078-A SYNTHESIS OF OLIGOPEPTIDES FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1984-07-03 US disclosed
US-4427581-A BACTERICIDES, FUNGICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-01-24 US disclosed
EP-0057412-A1 Peptide, process for preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-08-11 EP disclosed
US-4311640-A ANTIBIOTIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-01-19 US disclosed
EP-0025842-A2 Peptides, process for their preparation, their pharmaceutical compositions and their intermediates FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-01 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 (5 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-10800797-B2 Heteroaromatic silicon-fluoride-acceptors useful for 18F labeling of molecules and biomolecules, and methods of preparing same SSTR3, FUCA1, FAM83A ALDH1A1 1633/4885TDP1 1907/4885HTT 1547/4885
US-20200377529-A1 NOVEL HETEROAROMATIC SILICON-FLUORIDE-ACCEPTORS USEFUL FOR 18F LABELING OF MOLECULES AND BIOMOLECULES, AND METHODS OF PREPARING SAME FER, KIT, PFAS ALDH1A1 1652/4885TDP1 1460/4885HTT 1878/4885
US-20230114064-A1 NOVEL HETEROAROMATIC SILICON-FLUORIDE-ACCEPTORS USEFUL FOR 18F LABELING OF MOLECULES AND BIOMOLECULES, AND METHODS OF PREPARING SAME KIT, FER, FUT8 ALDH1A1 1668/4885TDP1 1904/4885HTT 2908/4885
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 ALDH1A1 69/4885TDP1 1727/4885HTT 4861/4885
US-20120214994-A1 (3-FLUORO-2-HYDROXY)PROPYL-FUNCTIONALIZED ARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR THE DIAGNOSIS OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASES APP, FABP7, SLC3A2 ALDH1A1 2595/4885TDP1 2206/4885HTT 56/4885

“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.