SCHEMBL10045756

SCHEMBL10045756

CC(C)C(=O)/C(=C/c1ccccc1)C(=O)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
KMT2A Q03164 5/20 0.55
LMNA P02545 5/20 0.55
MEN1 O00255 4/20 0.55
HTT P42858 4/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 5/20 0.49
NPSR1 Q6W5P4 4/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49

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
SCHEMBL927020 1.00 MAPT (0.55) MAPTKMT2ALMNAMEN1HTT
SCHEMBL6695821 1.00 MAPT (0.55) MAPTKMT2ALMNAMEN1HTT
SCHEMBL6769183 0.91 ALDH1A1 (0.55) MAPTKMT2ALMNAMEN1HTT
SCHEMBL5820791 0.91 RAB9A (0.62) MAPTKMT2ALMNAMEN1HTT
SCHEMBL6763984 0.91 MAPT (0.55) MAPTKMT2ALMNAMEN1HTT
SCHEMBL6763989 0.91 MAPT (0.55) MAPTKMT2ALMNAMEN1HTT
SCHEMBL6769185 0.91 ALDH1A1 (0.55) MAPTKMT2ALMNAMEN1HTT
SCHEMBL6761435 0.90 CA1 (0.47) MAPTKMT2ALMNAMEN1HTT
SCHEMBL6761436 0.90 CA1 (0.47) MAPTKMT2ALMNAMEN1HTT
SCHEMBL5808255 0.90 MAOA (0.46) MAPTKMT2ALMNAMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11421108-B2 Curable organopolysiloxane compositions WACKER CHEMIE AG (DE) 2022-08-23 US disclosed
EP-3642284-B1 CURABLE ORGANOPOLYSILOXANE COMPOSITIONS WACKER CHEMIE AG (DE) 2022-06-01 EP disclosed
EP-3984991-A1 METHOD FOR SYNTHESIZING ATORVASTATIN CALCIUM INTERMEDIATE BY USING MULTI-COMPONENT ONE-POT METHOD Zhejiang Hongyuan Pharma Co., Ltd (CN) 2022-04-20 EP disclosed
US-20200325337-A1 CURABLE ORGANOPOLYSILOXANE COMPOSITIONS WACKER CHEMIE AG (DE) 2020-10-15 US disclosed
WO-2020016903-A1 AN IMPROVED AND COMMERCIALLY VIABLE PROCESS FOR PREPARATION OF PYRROLE DERIVATIVES WITH IMPROVED IMPURITY PROFILE & MINIMISATION OF UNIT OPERATIONS. ARCH PHARMALABS LIMITED (IN) 2020-01-23 WO disclosed
US-8163959-B2 Reacting 2-halo-1-(4-fluorophenyl)-2-phenone of formula II with 4-methyl-3-oxo-N-phenylpentamide; high purity and good yield; for the synthesis of atorvastatin ARCH PHARMALABS LIMITED (IN) 2012-04-24 US disclosed
US-20110124704-A1 DEUTERIUM-ENRICHED ATORVASTATIN PROTIA, LLC (US) 2011-05-26 US disclosed
US-20110060164-A1 Reacting 2-halo-1-(4-fluorophenyl)-2-phenone of formula II with 4-methyl-3-oxo-N-phenylpentamide; high purity and good yield; for the synthesis of atorvastatin ARCH PHARMALABS LIMITTED (IN) 2011-03-10 US disclosed
US-7872154-B2 Method for the preparation of 4-fluoro-α-[2-methyl-1-oxopropyl]-y-oxo-n-β-diphenylbenzenebutanamide and products therefrom ARCH PHARMALABS LIMITED (IN) 2011-01-18 US disclosed
US-7872154-B2 Method for the preparation of 4-fluoro-α-[2-methyl-1-oxopropyl]-y-oxo-n-β-diphenylbenzenebutanamide and products therefrom ARCH PHARMALABS LIMITED (IN) 2011-01-18 US disclosed
US-7745480-B2 Deuterium-enriched atorvastatin PROTIA, LLC (US) 2010-06-29 US disclosed
US-7745480-B2 Deuterium-enriched atorvastatin PROTIA, LLC (US) 2010-06-29 US disclosed
US-20090298907-A1 METHOD FOR THE PREPARATION OF 4-FLUORO-ALPHA-[2-METHYL-1-OXOPROPYL]-y-OXO-N-BETA-DIPHENYLBENZENEBUTANAMIDE AND PRODUCTS THEREFROM ARCH PHARMALABS LIMITED (IN) 2009-12-03 US disclosed
US-20090298907-A1 METHOD FOR THE PREPARATION OF 4-FLUORO-ALPHA-[2-METHYL-1-OXOPROPYL]-y-OXO-N-BETA-DIPHENYLBENZENEBUTANAMIDE AND PRODUCTS THEREFROM ARCH PHARMALABS LIMITED (IN) 2009-12-03 US disclosed
WO-2009084827-A2 SYNTHETIC INTERMEDIATES, PROCESS FOR PREPARING PYRROLYLHEPTANOIC ACID DERIVATIVES THEREFROM DONG-A PHARM.CO., LTD. (KR) 2009-07-09 WO disclosed
US-20080280971-A1 deuterated (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid, used for the treatment of dyslipidemia and/or hyperlipemia PROTIA, LLC (US) 2008-11-13 US disclosed
US-20080280970-A1 DEUTERIUM-ENRICHED ATORVASTATIN PROTIA, LLC 2008-11-13 US disclosed
US-20080280971-A1 deuterated (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid, used for the treatment of dyslipidemia and/or hyperlipemia PROTIA, LLC (US) 2008-11-13 US disclosed
US-7323490-B2 Pyrrole compounds and uses thereof AMBIT BIOSCIENCES CORPORATION (US) 2008-01-29 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 (5 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-20080280971-A1 deuterated (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid, used for the treatment of dyslipidemia and/or hyperlipemia PCSK9, DHCR7, HMGCR MAPT 4315/4885KMT2A 2435/4885LMNA 1000/4885
US-20090298907-A1 METHOD FOR THE PREPARATION OF 4-FLUORO-ALPHA-[2-METHYL-1-OXOPROPYL]-y-OXO-N-BETA-DIPHENYLBENZENEBUTANAMIDE AND PRODUCTS THEREFROM NEFM, BPGM, HADHB MAPT 2683/4885KMT2A 1045/4885LMNA 1916/4885
US-20110124704-A1 DEUTERIUM-ENRICHED ATORVASTATIN HMGCR, PCSK9, STARD3 MAPT 2590/4885KMT2A 2262/4885LMNA 2028/4885
US-20110060164-A1 Reacting 2-halo-1-(4-fluorophenyl)-2-phenone of formula II with 4-methyl-3-oxo-N-phenylpentamide; high purity and good yield; for the synthesis of atorvastatin HMGCR, TGFB1, HSD17B12 MAPT 2352/4885KMT2A 1222/4885LMNA 734/4885
US-20080280970-A1 DEUTERIUM-ENRICHED ATORVASTATIN HMGCR, PCSK9, STARD3 MAPT 2590/4885KMT2A 2262/4885LMNA 2028/4885

“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.