SCHEMBL4339660

SCHEMBL4339660

NC(CO)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.50
CYP1A2 P05177 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP2C9 P11712 2/20 0.50
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ACP3 P15309 3/20 0.42
AOC3 Q16853 1/20 0.42
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
KEAP1 Q14145 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 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
SCHEMBL29783522 1.00 CYP2C19 (0.50) CYP2C19CYP1A2ALDH1A1CYP2C9KMT2A
SCHEMBL28707976 1.00 CYP2C19 (0.50) CYP2C19CYP1A2ALDH1A1CYP2C9KMT2A
SCHEMBL4339652 1.00 CYP2C19 (0.50) CYP2C19CYP1A2ALDH1A1CYP2C9KMT2A
SCHEMBL4195634 0.85 CYP2C19 (0.47) CYP2C19CYP1A2ALDH1A1CYP2C9KMT2A
SCHEMBL342584 0.82 ALDH1A1 (0.52) CYP2C19CYP1A2ALDH1A1CYP2C9KMT2A
SCHEMBL30509738 0.82 ALDH1A1 (0.52) CYP2C19CYP1A2ALDH1A1CYP2C9KMT2A
SCHEMBL9751547 0.82 ALDH1A1 (0.52) CYP2C19CYP1A2ALDH1A1CYP2C9KMT2A
Hydrochloric Acid SCHEMBL2455223 0.80 ALDH1A1 (0.50) CYP2C19CYP1A2ALDH1A1CYP2C9KMT2A
Hydrochloric Acid SCHEMBL2475384 0.80 ALDH1A1 (0.50) CYP2C19CYP1A2ALDH1A1CYP2C9KMT2A
SCHEMBL22710196 0.80 ALDH1A1 (0.50) CYP2C19CYP1A2ALDH1A1CYP2C9KMT2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166598-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-05-23 US disclosed
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed
WO-2022169891-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THE SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-08-11 WO disclosed
US-7612236-B2 Method for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 US disclosed
CN-100436406-C Process for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL CO (JP) 2008-11-26 CN disclosed
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced SUMITOMO CHEMICAL COMPANY, LIMITED 2007-05-03 US disclosed
CN-1898193-A Method for producing optically active bisamidealcohol compound SUMITOMO CHEMICAL CO (JP) 2007-01-17 CN disclosed
EP-1698616-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP disclosed
JP-2004067671-A METHOD FOR PRODUCING OPTICALLY ACTIVE 2-AMINO-2-(1-NAPHTHYL)ETHANOLS AND INTERMEDIATE FOR THE SAME SUMITOMO CHEM CO LTD 2004-03-04 JP disclosed
JP-2004067671-A METHOD FOR PRODUCING OPTICALLY ACTIVE 2-AMINO-2-(1-NAPHTHYL)ETHANOLS AND INTERMEDIATE FOR THE SAME SUMITOMO CHEM CO LTD 2004-03-04 JP disclosed
EP-0182279-B1 PROCESS FOR THE OPTICAL RESOLUTION OF RACEMIC MIXTURES OF ALPHA-NAPHTYL-PROPIONIC ACIDS ALFA WASSERMANN S.p.A. (IT) 1990-02-28 EP disclosed
EP-0211721-B1 PHENYLETHANOL AMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI S.A. (FR) 1989-10-04 EP disclosed
US-4661628-A Process for the optical resolution of racemic mixtures of α-naphthyl-propionic acids ALFA CHEMICALS ITALIANA S.P.A. (IT) 1987-04-28 US disclosed
US-4622419-A AMIDATION, ACID HYDROLYSIS ALFA CHEMICALS ITALIANA S.P.A. (IT) 1986-11-11 US disclosed
EP-0182279-A1 Process for the optical resolution of racemic mixtures of alpha-naphtyl-propionic acids ALFA WASSERMANN S.p.A. (IT) 1986-05-28 EP disclosed
EP-0143371-A1 Process for the optical resolution of racemic mixtures of alpha-naphthyl-propionic acids Alfa Chemicals Italiana S.r.l. (IT) 1985-06-05 EP disclosed
US-4045485-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC AND ANTIPRURITIC ACTIVITY SYNTEX CORPORATION (US) 1977-08-30 US disclosed
US-3960936-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, SKIN DISORDERS SYNTEX CORPORATION (PM) 1976-06-01 US disclosed
US-3947472-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-03-30 US disclosed
US-3935273-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1976-01-27 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 (2 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-20240166598-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THE SAME SARS1, ACE, PLPBP CYP2C19 1293/4885CYP1A2 2534/4885ALDH1A1 2979/4885
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced CCNL2, ARL1, ACSL3 CYP2C19 1911/4885CYP1A2 791/4885ALDH1A1 1303/4885

“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.