SCHEMBL2022347

SCHEMBL2022347

CCC(NC(=O)O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
LMNA P02545 3/20 0.63
TSHR P16473 2/20 0.63
KDM4E B2RXH2 1/20 0.63
HPGD P15428 1/20 0.63
HSD17B10 Q99714 1/20 0.63
EPHX2 P34913 2/20 0.56
KCNA5 P22460 5/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
SLC6A9 P48067 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
TACR3 P29371 3/20 0.51
TACR2 P21452 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL3376152 1.00 ALDH1A1 (0.63) ALDH1A1LMNATSHRKDM4EHPGD
SCHEMBL3370482 1.00 ALDH1A1 (0.63) ALDH1A1LMNATSHRKDM4EHPGD
SCHEMBL15093820 0.88 EPHX2 (0.65) ALDH1A1LMNATSHRKDM4EHPGD
SCHEMBL186238 0.86 LMNA (0.61) ALDH1A1LMNATSHRKDM4EHPGD
SCHEMBL186230 0.86 LMNA (0.61) ALDH1A1LMNATSHRKDM4EHPGD
SCHEMBL186416 0.86 LMNA (0.61) ALDH1A1LMNATSHRKDM4EHPGD
SCHEMBL3352726 0.85 LMNA (0.53) ALDH1A1LMNATSHRKDM4EHPGD
SCHEMBL16316844 0.85 LMNA (0.59) ALDH1A1LMNATSHRKDM4EHPGD
SCHEMBL14535420 0.85 ALDH1A1 (0.59) ALDH1A1LMNATSHRKDM4EHPGD
SCHEMBL11139016 0.85 LMNA (0.59) ALDH1A1LMNATSHRKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4384115-A Process for preparing tetrahydro-1,3-oxazin-2-ones THE DOW CHEMICAL COMPANY (US) 1983-05-17 US claimed
EP-3527600-B1 ISOCYANATE COMPOSITION AND PRODUCTION METHOD FOR ISOCYANATE POLYMER ASAHI CHEMICAL IND (JP) 2025-07-09 EP disclosed
EP-4395763-A1 METHODS AND COMPOSITIONS FOR AMELIORATING BIOMARKERS ASSOCIATED WITH CARDIOVASCULAR RISK USING (R)-2-AMINO-3-PHENYLPROPYL CARBAMATE AXSOME THERAPEUTICS (US) 2024-07-10 EP disclosed
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-04-13 US disclosed
WO-2023034944-A1 METHODS AND COMPOSITIONS FOR AMELIORATING BIOMARKERS ASSOCIATED WITH CARDIOVASCULAR RISK USING (R)-2-AMINO-3-PHENYLPROPYL CARBAMATE AXSOME THERAPEUTICS (US) 2023-03-09 WO disclosed
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-10 US disclosed
EP-3536683-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2021-11-24 EP disclosed
CN-108976272-B 3, 3-disubstituted 19-norpregnane compounds, compositions, and uses thereof 萨奇治疗股份有限公司 2021-05-25 CN disclosed
US-10875883-B2 Method for synthesizing novel chiral ligand, metal chelate, a variety of non-natural amino acids, maraviroc and key intermediate thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-12-29 US disclosed
EP-3372579-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2020-10-28 EP disclosed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012029067-A1 CRYSTALLINE FORMS OF MARAVIROC PHOSPHATE AND PROCESS FOR MARAVIROC AMORPHOUS FORM HETERO RESEARCH FOUNDATION (IN) 2012-03-08 WO disclosed
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 US disclosed
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 US disclosed
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed
EP-1436255-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-07-14 EP disclosed
WO-2003024924-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-03-27 WO disclosed
US-4654347-A USEFUL AS ANXIOLYTIC AND ANTIEPILEPTIC AGENTS, SEDATIVE-HYPNOTIC AGENTS AND SKELETAL MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1987-03-31 US disclosed
US-4384115-A Process for preparing tetrahydro-1,3-oxazin-2-ones THE DOW CHEMICAL COMPANY (US) 1983-05-17 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 (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-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B ALDH1A1 643/4885LMNA 2021/4885TSHR 4885/4885
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP ALDH1A1 1036/4885LMNA 1974/4885TSHR 2037/4885
US-10875883-B2 Method for synthesizing novel chiral ligand, metal chelate, a variety of non-natural amino acids, maraviroc and key intermediate thereof PRMT3, GRIN3A, RAMP3 ALDH1A1 3474/4885LMNA 2625/4885TSHR 4110/4885
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH ALDH1A1 574/4885LMNA 2324/4885TSHR 2998/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B ALDH1A1 666/4885LMNA 1933/4885TSHR 4885/4885

“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.