SCHEMBL5534700

SCHEMBL5534700

CC1(C)OCc2cc(CC=O)ccc2O1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.32
EPAS1 Q99814 2/20 0.32
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CTSB P07858 1/20 0.31
PARP1 P09874 1/20 0.31
TSHR P16473 1/20 0.31
PDE10A Q9Y233 1/20 0.30
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL23612453 0.83 PARP1 (0.42) HIF1AEPAS1ALOX15ALOX12CYP1A2
SCHEMBL6155424 0.81 CYP4F2 (0.36) ALOX15ALOX12CTSBTSHR
SCHEMBL6157517 0.81 HIF1A (0.35) HIF1AEPAS1ALOX15ALOX12TSHR
SCHEMBL6189927 0.79 PTGS2 (0.38) ALOX15ALOX12MAPTCTSB
Acetic Acid SCHEMBL5482093 0.78 KDM4E (0.38) ALOX15ALOX12CYP3A4MAPTCTSB
SCHEMBL6156513 0.78 ALDH1A1 (0.42) MAPTTSHRMAOB
SCHEMBL30044913 0.78 ALDH1A1 (0.42) MAPTTSHRMAOB
SCHEMBL13018533 0.77 CTSB (0.42) CYP3A4CTSB
SCHEMBL7153474 0.77 ALOX15 (0.49) ALOX15ALOX12CYP1A2CYP3A4MAPT
SCHEMBL12466081 0.76 KDM1A (0.50) MAPTCTSBPDE10AKDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539077-B Synthesis method of levosalbutamol hydrochloride 南京恒道医药科技股份有限公司 2023-12-08 CN claimed
CN-114539077-A Synthesis method of levalbuterol hydrochloride 南京恒道医药科技有限公司 2022-05-27 CN claimed
CN-114539077-B Synthesis method of levosalbutamol hydrochloride 南京恒道医药科技股份有限公司 2023-12-08 CN disclosed
CN-114539077-B Synthesis method of levosalbutamol hydrochloride 南京恒道医药科技股份有限公司 2023-12-08 CN disclosed
CN-114539077-A Synthesis method of levalbuterol hydrochloride 南京恒道医药科技有限公司 2022-05-27 CN disclosed
US-7205425-B2 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof CHISSO CORPORATION (JP) 2007-04-17 US disclosed
US-20070060656-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof SHIBASAKI MASAKATSU 2007-03-15 US disclosed
US-20050148801-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof JNC CORPORATION (JP) 2005-07-07 US disclosed
US-6632955-B1 Optically active 1-substituted phenyl-2-nitro alcohol derivatives which are useful pharmaceutical intermediates. Enantiomotphs active 1-substituted phenyl-2-nitro alcohol derivatives. From these nitro alcohol such as albutramin and CHISSO CORPORATION (JP) 2003-10-14 US disclosed
US-20020193447-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof JNC CORPORATION (JP) 2002-12-19 US disclosed
EP-0947498-A1 OPTICALLY ACTIVE NITRO ALCOHOL DERIVATIVES, OPTICALLY ACTIVE AMINO ALCOHOL DERIVATES, AND PROCESS FOR PREPARING THE SAME CHISSO CORPORATION (JP) 1999-10-06 EP 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 (3 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-20050148801-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, ADRB1 HIF1A 1996/4885EPAS1 534/4885ALOX15 838/4885
US-20070060656-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, ADRB1 HIF1A 1996/4885EPAS1 534/4885ALOX15 838/4885
US-20020193447-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, SARM1 HIF1A 1928/4885EPAS1 487/4885ALOX15 657/4885

“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.