SCHEMBL1898753

SCHEMBL1898753

CC(C)C(=O)CC(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 1/20 0.50
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PTGES O14684 3/20 0.48
REN P00797 1/20 0.47
ESR1 P03372 1/20 0.46
POLB P06746 1/20 0.46
NR4A1 P22736 1/20 0.46

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
SCHEMBL1128948 0.83 NPC1 (0.64) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL1128947 0.80 ALDH1A1 (0.56) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL18216887 0.78 LMNA (0.56) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL12089386 0.77 MEN1 (0.47) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2107224 0.77 ALDH1A1 (0.53) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL6433208 0.76 ALDH1A1 (0.64) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL14472457 0.75 MEN1 (0.44) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL14518447 0.75 MEN1 (0.44) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL29036558 0.75 KMT2A (0.50) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL28824749 0.75 KMT2A (0.57) MEN1KMT2ANPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079877-B2 Process for preparing chiral compounds PFIZER INC. (US) 2015-07-14 US disclosed
EP-2185713-B1 PROCESS FOR PREPARING CHIRAL COMPOUNDS PFIZER PROD INC (US) 2014-09-10 EP disclosed
EP-2532660-B1 Process for preparing chiral compounds PFIZER PROD INC (US) 2014-09-10 EP disclosed
US-20140187794-A1 Process for Preparing Chiral Compounds PFIZER INC. (US) 2014-07-03 US disclosed
US-8642783-B2 Process for preparing chiral compounds PFIZER INC. (US) 2014-02-04 US disclosed
EP-2532660-A1 Synthetic intermediates prepared using a 2-deoxyribose-5-phosphate aldolase (DERA) chemoenzymatic process Pfizer Products Inc. (US) 2012-12-12 EP disclosed
US-20110118476-A1 Process for Preparing Chiral Compounds PFIZER INC. 2011-05-19 US disclosed
EP-2185713-A2 PROCESS FOR PREPARING CHIRAL COMPOUNDS Pfizer Products Inc. (US) 2010-05-19 EP disclosed
US-20090221852-A1 Preparation of an Atorvastatin Intermediate PFIZER INC. 2009-09-03 US disclosed
WO-2009019561-A2 PROCESS FOR PREPARING CHIRAL COMPOUNDS PFIZER PRODUCTS INC. (US) 2009-02-12 WO disclosed
EP-1922301-A1 PREPARATION OF AN ATORVASTATIN INTERMEDIATE Pfizer Science and Technology Ireland Limited (IE) 2008-05-21 EP disclosed
WO-2007029217-A1 PREPARATION OF AN ATORVASTATIN INTERMEDIATE PFIZER SCIENCE AND TECHNOLOGY IRELAND LIMITED (IE) 2007-03-15 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 (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-20090221852-A1 Preparation of an Atorvastatin Intermediate BCKDK, HMGCR, KHK MEN1 4039/4885KMT2A 2372/4885NPC1 1081/4885
US-20140187794-A1 Process for Preparing Chiral Compounds DERA, ALDOA, DPYD MEN1 2085/4885KMT2A 995/4885NPC1 2455/4885
US-20110118476-A1 Process for Preparing Chiral Compounds DERA, ALDOA, DPYD MEN1 2085/4885KMT2A 995/4885NPC1 2455/4885

“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.