SCHEMBL232380

SCHEMBL232380

CC(CO)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.69
▸ KMT2A Q03164 4/20 0.69
▸ CYP2C19 P33261 2/20 0.69
▸ RECQL P46063 1/20 0.69
▸ CYP1A2 P05177 3/20 0.63
▸ HRH1 P35367 1/20 0.63
▸ SLC25A20 O43772 3/20 0.58
▸ TP53 P04637 3/20 0.58
▸ TSHR P16473 3/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ SLC6A5 Q9Y345 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ HIF1A Q16665 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ THPO P40225 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ CPT2 P23786 1/20 0.47

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
SCHEMBL16238330 0.93 MEN1 (0.73) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL19655965 0.88 MEN1 (0.65) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL21594797 0.88 MEN1 (0.65) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL464880 0.87 MEN1 (0.73) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL232682 0.87 MEN1 (0.73) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL28369484 0.86 MEN1 (0.68) MEN1KMT2ACYP2C19RECQLCYP1A2
Hydrochloric Acid SCHEMBL9465317 0.85 MEN1 (0.71) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL30513874 0.85 MEN1 (0.71) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL31011113 0.85 MEN1 (0.71) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL288495 0.85 MEN1 (0.71) MEN1KMT2ACYP2C19RECQLCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4515242-A1 METABOLITE PREDICTORS FOR LUNG CANCER JANSSEN Pharmaceutica NV (BE) 2025-03-05 — — EP claimed
CN-119534850-A Marker group capable of reflecting prolongation of post-PCI proinflammatory period of ACS patient and application thereof 天津中医药大学 2025-02-28 — — CN claimed
US-20240230622-A9 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2024-07-11 — — US claimed
US-20240133865-A1 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2024-04-25 — — US claimed
WO-2023209218-A1 METABOLITE PREDICTORS FOR LUNG CANCER JANSSEN PHARMACEUTICA NV (BE) 2023-11-02 — — WO claimed
US-11674948-B2 Methods and systems for determining autism spectrum disorder risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2023-06-13 — — US claimed
EP-3954991-A2 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK Laboratory Corporation of America Holdings (US) 2022-02-16 — — EP claimed
CN-113009122-A Methods and systems for determining risk of autism spectrum disorders 美国控股实验室公司 2021-06-22 — — CN claimed
EP-3151665-B1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK LABORATORY CORP AMERICA HOLDINGS (US) 2021-03-10 — — EP claimed
CN-106714556-B Methods and systems for determining risk of autism spectrum disorders 美国控股实验室公司 2021-01-26 — — CN claimed
US-20160116486-A1 BIOMARKERS RELATED TO KIDNEY FUNCTION AND METHODS USING THE SAME METABOLON, INC. 2016-04-28 — — US claimed
US-20160091481-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK LABORATORY CORPORATION OF AMERICA HOLDINGS 2016-03-31 — — US claimed
US-20160091480-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK LABORATORY CORPORATION OF AMERICA HOLDINGS 2016-03-31 — — US claimed
US-9176113-B1 Methods and systems for determining autism spectrum disorder risk SYNAPDX CORPORATION (US) 2015-11-03 — — US claimed
US-20150293072-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK LABORATORY CORPORATION OF AMERICA HOLDINGS 2015-10-15 — — US claimed
WO-2015157601-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK SYNAPDX CORPORATION (US) 2015-10-15 — — WO claimed
US-20150294081-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK LABORATORY CORPORATION OF AMERICA HOLDINGS 2015-10-15 — — US claimed
WO-2013188333-A1 BIOMARKERS RELATED TO NEPHROTOXICITY AND METHODS USING THE SAME METABOLON, INC. (US) 2013-12-19 — — WO claimed
WO-2012164525-A2 AGING BIOMARKERS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2012-12-06 — — WO claimed
US-7229834-B2 Diagnosing carnitine deficiency in patients, monitoring by blood analyzing, mass-spectrometry method PEDIATRIX SCREENING, INC. (US) 2007-06-12 — — US claimed
Send feedback