SCHEMBL993752

SCHEMBL993752

CNCCC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPK1 P28482 2/20 0.58
MEN1 O00255 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP3A4 P08684 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
CES1 P23141 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 1/20 0.57
NR4A2 P43354 1/20 0.57
SIGMAR1 Q99720 1/20 0.56
ALDH1A1 P00352 3/20 0.54
TRPA1 O75762 1/20 0.54
GSK3B P49841 1/20 0.54
HIF1A Q16665 1/20 0.54
HDAC1 Q13547 5/20 0.52

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
Hydrochloric Acid SCHEMBL6709007 0.98 MAPT (0.56) MAPTTDP1KMT2AMAPK1MEN1
Formaldehyde SCHEMBL4564999 0.96 MAPT (0.54) MAPTTDP1KMT2AMAPK1MEN1
SCHEMBL4126030 0.93 CA12 (0.51) MAPTTDP1KMT2AMAPK1MEN1
SCHEMBL20643854 0.88 TDP1 (0.64) MAPTTDP1KMT2AMAPK1MEN1
SCHEMBL9744775 0.83 TDP1 (0.62) MAPTTDP1KMT2AMAPK1MEN1
SCHEMBL10877229 0.82 HSD17B3 (0.62) TDP1KDM4ECYP3A4L3MBTL1SIGMAR1
SCHEMBL19399103 0.82 KMT2A (0.60) MAPTTDP1KMT2AMEN1CES1
SCHEMBL27937324 0.80 MAPT (0.54) MAPTTDP1KMT2AMAPK1MEN1
SCHEMBL10523300 0.80 NR4A2 (0.59) MAPTTDP1KMT2AMAPK1MEN1
SCHEMBL16404442 0.80 ALDH1A1 (0.53) MAPTTDP1KMT2AMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110050365-B Improved secondary lithium ion battery and lithium capacitor electrode compositions 汉高股份有限及两合公司 2023-04-28 CN claimed
CN-115677512-A Method for synthesizing lercanidipine intermediate N-methyl-3,3-diphenylpropylamine hydrochloride 大连万福制药有限公司 2023-02-03 CN claimed
CN-112359028-B Biosynthesis method of tomoxetine intermediate and carbonyl reductase 江苏阿尔法药业股份有限公司 2022-05-31 CN claimed
CN-112359028-A Biosynthesis method of tomoxetine intermediate and carbonyl reductase 江苏阿尔法药业有限公司 2021-02-12 CN claimed
CN-111186180-A High-film-separation VCM color-coated sheet for furniture 苏州兴禾源复合材料有限公司 2020-05-22 CN claimed
CN-108998779-B Chemical plating solution and environment-friendly alloy surface autocatalytic treatment method 绵阳高新区天力机械有限责任公司 2020-03-10 CN claimed
CN-109772113-A A kind of deodorant of petrochemical industry sour gas 吕秀梅 2019-05-21 CN claimed
CN-109228597-A A kind of anti-rotten, pressure resistant type religion toy composite board 钱学华 2019-01-18 CN claimed
CN-108998779-A A kind of chemical plating fluid and environment-friendly type alloy surface self-catalysis processing method 四川鑫元瑞科技有限公司 2018-12-14 CN claimed
CN-108927868-A A kind of nontoxic non-stimulated religion toy timber preservative 钱学华 2018-12-04 CN claimed
US-7579484-B2 Preparation of 3-methylamino-1-phenyl-1-propanone or 3-methylamino-1-(2-thienyl)-1-propanone; chemical intermediates to central nervous system drugs such as fluoxetine, tomoxetine MERCK PATENT GMBH (DE) 2009-08-25 US claimed
CN-1293039-C Preparation of [(S)-(-)-alpha-methylamino phenylketone]2.(2R,3R)-tartaric acid derivative SHANGHAI INST OF MEDICINE INDU (CN) 2007-01-03 CN claimed
US-20060122405-A1 Method for the production of monoalkylamino ketones MERCK PATENT GMBH (DE) 2006-06-08 US claimed
US-6984738-B2 Process for production of optically active amino alcohols YOKOZAWA TOHRU 2006-01-10 US claimed
EP-1532101-A1 METHOD FOR THE PRODUCTION OF MONOALKYLAMINO KETONES MERCK PATENT GmbH (DE) 2005-05-25 EP claimed
CN-1583714-A Preparation of [(S)-(-)-alpha-methylamino phenylketone]2.(2R,3R)-tartaric acid derivative SHANGHAI MEDICAL INDUSTRY ACAD (CN) 2005-02-23 CN claimed
WO-2004020391-A1 METHOD FOR THE PRODUCTION OF MONOALKYLAMINO KETONES MERCK PATENT GMBH (DE) 2004-03-11 WO claimed
EP-0461113-A1 TANNIN MANNICH ADDUCTS FOR IMPROVING CORROSION RESISTANCE OF METALS HENKEL CORPORATION (US) 1991-12-18 EP claimed
US-4944812-A Tannin mannich adducts for improving corrosion resistance of metals HENKEL CORPORATION (US) 1990-07-31 US claimed
WO-1990005794-A1 TANNIN MANNICH ADDUCTS FOR IMPROVING CORROSION RESISTANCE OF METALS HENKEL CORPORATION (US) 1990-05-31 WO claimed

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-20060122405-A1 Method for the production of monoalkylamino ketones BCKDK, AKR7A2, AKR1C3 MAPT 2957/4885TDP1 4340/4885KMT2A 1025/4885

“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.