SCHEMBL311166

SCHEMBL311166

N#CC(=C(O)C(=O)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 4/20 0.42
CES1 P23141 3/20 0.42
CES2 O00748 2/20 0.42
TSHR P16473 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
XBP1 P17861 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AKT1 P31749 1/20 0.40
CA2 P00918 3/20 0.39
CYP3A4 P08684 2/20 0.39

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
SCHEMBL1898420 0.81 KMT2A (0.52) CYP2C19CYP1A2CYP2C9KMT2AMEN1
SCHEMBL79975 0.81 KMT2A (0.52) CYP2C19CYP1A2CYP2C9KMT2AMEN1
SCHEMBL6418982 0.81 KMT2A (0.52) CYP2C19CYP1A2CYP2C9KMT2AMEN1
SCHEMBL434262 0.81 CYP2C19 (0.43) CYP2C19CYP1A2CYP2C9KMT2AMEN1
SCHEMBL291408 0.81 CYP2C19 (0.43) CYP2C19CYP1A2CYP2C9KMT2AMEN1
SCHEMBL11230433 0.79 CYP2C19 (0.42) CYP2C19CYP1A2CYP2C9KMT2AMEN1
SCHEMBL560689 0.79 CES2 (0.43) CYP2C19CYP1A2CYP2C9KMT2AMEN1
SCHEMBL5189613 0.79 KMT2A (0.55) CYP2C19CYP1A2CYP2C9KMT2AMEN1
SCHEMBL1712503 0.77 KMT2A (0.46) CYP2C19CYP1A2CYP2C9KMT2AMEN1
SCHEMBL61242 0.75 MEN1 (0.68) CYP2C19CYP1A2CYP2C9KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150024428-A1 METHOD OF IDENTIFICATION OF SPORE-FORMING Bacillus spp. BY DIRECT In-situ ANALYSIS OF MALDI-TOF MASS SPECTROMETRY, AND ANALYSIS SYSTEM AGENCY FOR DEFENSE DEVELOPMENT (KR) 2015-01-22 US claimed
US-8525104-B2 Methods for direct biomolecule identification by matrix-assisted laser desorption ionization (MALDI) mass spectrometry NEW YORK UNIVERSITY (US) 2013-09-03 US claimed
US-20110062320-A1 Methods for direct biomolecule identification by matrix-assisted laser desorption ionization (MALDI) mass spectrometry NEW YORK UNIVERSITY 2011-03-17 US claimed
US-7847245-B2 Multiplexing matrix-analyte stereo electronic interactions for high throughput shotgun metabolomics PLATOMICS, INC. (US) 2010-12-07 US claimed
US-7781731-B2 Method and apparatus for qualitatively analyzing high-molecular additives in metal plating solution SAMSUNG ELECTRO-MECHANICS CO., LTD. (KR) 2010-08-24 US claimed
US-7714276-B2 Methods for direct biomolecule identification by matrix-assisted laser desorption ionization (MALDI) mass spectrometry NEW YORK UNIVERSITY (US) 2010-05-11 US claimed
US-20090278041-A1 Method and apparatus for qualitatively analyzing high-molecular additives in metal plating solution SAMSUNG ELECTRO-MECHANICS CO., LTD. (KR) 2009-11-12 US claimed
US-20090065687-A1 MULTIPLEXING MATRIX-ANALYTE STEREO ELECTRONIC INTERACTIONS FOR HIGH THROUGHPUT SHOTGUN METABOLOMICS PLATOMICS, INC. 2009-03-12 US claimed
US-7449150-B2 Probe and apparatus for desorption and ionization of analytes BAYLOR COLLEGE OF MEDICINE (US) 2008-11-11 US claimed
US-7413909-B2 Method and apparatus for desorption and ionization of analytes BAYLOR COLLEGE OF MEDICINE (US) 2008-08-19 US claimed
WO-2007041520-A9 METHODS FOR DIRECT PROTEIN IDENTIFICATION BY MALDI UNIV NEW YORK (US) 2007-08-30 WO claimed
US-20070114375-A1 Methods for direct biomolecule identification by matrix-assisted laser desorption ionization (MALDI) mass spectrometry NEW YORK UNIVERSITY 2007-05-24 US claimed
WO-2007041520-A2 METHODS FOR DIRECT PROTEIN IDENTIFICATION BY MALDI NEW YORK UNIVERSITY (US) 2007-04-12 WO claimed
US-20040238738-A1 Method and apparatus for desorption and ionization of analytes HUTCHENS T WILLIAM (US) 2004-12-02 US claimed
EP-1347493-A9 Method and apparatus for desorption and ionization of analytes BAYLOR COLLEGE OF MEDICINE (US) 2003-12-17 EP claimed
EP-1347493-A2 Method and apparatus for desorption and ionization of analytes BAYLOR COLLEGE OF MEDICINE (US) 2003-09-24 EP claimed
US-6124137-A APPARATUS FOR DETECTING AN ANALYTE IMMOBILIZED TO A SURFACE; FOR RECEPTIVITY DIRECTED DETECTION OF BIOPLOYMERS; FOR SEQUENCING BIOPOLYMERS BAYLOR COLLEGE OF MEDICINE (US) 2000-09-26 US claimed
US-5894063-A Surface-enhanced neat desorption for disorption and detection of analytes BAYLOR COLLEGE OF MEDICINE (US) 1999-04-13 US claimed
US-20260137818-A1 HIGH PURITY COPPER RADIOPHARMACEUTICAL COMPOSITIONS AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF NUCLIDIUM AG (CH) 2026-05-21 US disclosed
US-5894063-A Surface-enhanced neat desorption for disorption and detection of analytes BAYLOR COLLEGE OF MEDICINE (US) 1999-04-13 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 (1 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-20260137818-A1 HIGH PURITY COPPER RADIOPHARMACEUTICAL COMPOSITIONS AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF FAP, SSTR1, PSMA1 CYP2C19 3179/4885CYP1A2 4754/4885CYP2C9 3549/4885

“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.