SCHEMBL915370

SCHEMBL915370

CC(C)C(=O)CC(C(=O)c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MITF O75030 3/20 0.51
ATM Q13315 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.49
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.42
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MC4R P32245 2/20 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
SCHEMBL9657022 0.94 MC4R (0.46) ALDH1A1LMNASMN1; SMN2MITFATM
SCHEMBL14452096 0.92 LMNA (0.42) ALDH1A1LMNASMN1; SMN2MITFATM
SCHEMBL11526582 0.82 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2MITFATM
SCHEMBL10609369 0.80 CYP1A2 (0.47) ALDH1A1LMNASMN1; SMN2MITFATM
SCHEMBL1985996 0.79 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2MITFATM
SCHEMBL5986347 0.79 LMNA (0.56) ALDH1A1LMNASMN1; SMN2MITFATM
SCHEMBL13479950 0.77 KLK7 (0.54) ALDH1A1LMNASMN1; SMN2MITFATM
SCHEMBL29110155 0.77 SMN1; SMN2 (0.53) ALDH1A1LMNASMN1; SMN2MITFATM
SCHEMBL9756750 0.76 ESR1 (0.41) ALDH1A1LMNAMAPTHTTHPGD
SCHEMBL11918239 0.76 CYP2C19 (0.41) ALDH1A1LMNASMN1; SMN2MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245008-B1 METHOD FOR THE PREPARATION OF ATORVASTATIN AND INTERMEDIATES USED THEREIN CHONG KUN DANG PHARM CORP (KR) 2013-02-20 EP disclosed
US-8178697-B2 Method for the preparation of atorvastatin and intermediates used therein CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2012-05-15 US disclosed
US-8178697-B2 Method for the preparation of atorvastatin and intermediates used therein CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2012-05-15 US disclosed
US-8178697-B2 Method for the preparation of atorvastatin and intermediates used therein CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2012-05-15 US disclosed
US-20110015407-A1 METHOD FOR THE PREPARATION OF ATORVASTATIN AND INTERMEDIATES USED THEREIN CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2011-01-20 US disclosed
US-20110015407-A1 METHOD FOR THE PREPARATION OF ATORVASTATIN AND INTERMEDIATES USED THEREIN CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2011-01-20 US disclosed
US-20110015407-A1 METHOD FOR THE PREPARATION OF ATORVASTATIN AND INTERMEDIATES USED THEREIN CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2011-01-20 US disclosed
EP-2245008-A1 METHOD FOR THE PREPARATION OF ATORVASTATIN AND INTERMEDIATES USED THEREIN Chong Kun Dang Pharmaceutical Corp. (KR) 2010-11-03 EP disclosed
WO-2009093776-A1 METHOD FOR THE PREPARATION OF ATORVASTATIN AND INTERMEDIATES USED THEREIN CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2009-07-30 WO disclosed
WO-2006110918-A1 PYRROLE COMPOUNDS AND USES THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2006-10-19 WO 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 (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-20110015407-A1 METHOD FOR THE PREPARATION OF ATORVASTATIN AND INTERMEDIATES USED THEREIN HMGCR, PCSK9, CETP ALDH1A1 1340/4885LMNA 280/4885SMN1; SMN2 4790/4885

“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.