SCHEMBL9946939

SCHEMBL9946939

CCCCOc1ccc(/C=N/c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 10/20 0.55
▸ GAA P10253 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ CYP2C9 P11712 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP19A1 P11511 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TSHR P16473 1/20 0.47
▸ PTGS2 P35354 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ PTGS1 P23219 1/20 0.47

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
SCHEMBL11696381 1.00 FAAH (0.55) FAAHGAAALDH1A1LMNACYP2C9
SCHEMBL14573137 1.00 FAAH (0.55) FAAHGAAALDH1A1LMNACYP2C9
SCHEMBL12753930 0.92 GAA (0.61) GAAALDH1A1LMNACYP2C9CYP1A2
SCHEMBL1876276 0.92 GAA (0.61) GAAALDH1A1LMNACYP2C9CYP1A2
SCHEMBL2451978 0.89 GAA (0.58) FAAHGAAALDH1A1LMNACYP2C9
SCHEMBL2451979 0.89 GAA (0.58) FAAHGAAALDH1A1LMNACYP2C9
SCHEMBL2451656 0.88 GAA (0.57) FAAHGAAALDH1A1LMNACYP2C9
SCHEMBL2451388 0.88 GAA (0.57) FAAHGAAALDH1A1LMNACYP2C9
SCHEMBL11693886 0.88 FAAH (0.53) FAAHGAAALDH1A1CYP1A2CYP2C19
SCHEMBL2451659 0.88 GAA (0.57) FAAHGAAALDH1A1LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4018507-A Liquid crystal device, composition therefor, and method for preparing the composition AMERICAN MICRO-SYSTEMS, INC. (US) 1977-04-19 — — US claimed
EP-2414326-B1 INTERMEDIATES IN THE PREPARATION OF 1,4-DIPHENYL AZETIDINONE LUPIN LTD (IN) 2017-12-20 — — EP disclosed
US-9518014-B2 Process for synthesis of ezetimibe and intermediates used in said process SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-12-13 — — US disclosed
EP-2876102-B1 PROCESS FOR SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USED IN SAID PROCESS SHANGHAI INST ORGANIC CHEMISTRY CAS (CN) 2016-12-07 — — EP disclosed
US-20150166479-A1 PROCESS FOR SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USED IN SAID PROCESS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-06-18 — — US disclosed
EP-2876102-A1 PROCESS FOR SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USED IN SAID PROCESS Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2015-05-27 — — EP disclosed
US-9040688-B2 Intermediates in the preparation of 1,4-diphenyl azetidinone LUPIN LIMITED (IN) 2015-05-26 — — US disclosed
WO-2015039675-A1 NOVEL PROCESS FOR THE PREPARATION OF EZETIMIBE INTERMEDIATES PHARMATHEN S.A. (GR) 2015-03-26 — — WO disclosed
WO-2012173504-A2 METHOD FOR SYNTHESIS OF THE SUBSTITUTED AZETIDINONES AND INTERMEDIATES FOR THEIR SYNTHESIS Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) 2012-12-20 — — WO disclosed
WO-2012155932-A1 IMPROVED PROCESS FOR THE PREPARATION OF EZETIMIBE PHARMATHEN S.A. (GR) 2012-11-22 — — WO disclosed
WO-2012076030-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE COMPOUNDS USEFUL IN THE PREPARATION OF EZETIMIBE PHARMATHEN S.A. (GR) 2012-06-14 — — WO disclosed
US-20120029185-A1 NOVEL INTERMEDIATES IN THE PREPARATION OF 1,4-DIPHENYL AZETIDINONE LUPIN LIMITED (IN) 2012-02-02 — — US disclosed
WO-2010113182-A1 INTERMEDIATES IN THE PREPARATION OF 1,4-DIPHENYL AZETIDINONE LUPIN LIMITED (IN) 2010-10-07 — — WO disclosed
US-20090227786-A1 PROCESSES FOR PREPARING INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF EZETIMIBE MEDICHEM S.A. (ES) 2009-09-10 — — US disclosed
US-7544667-B2 Hypocholesterolemic compounds LIPIDEON BIOTECHNOLOGY AG (CH) 2009-06-09 — — US disclosed
US-20070275909-A1 Useful in the treatment and prevention of atherosclerosis and for the reduction of cholesterol levels; carbohydrate-containing pyrazolidinone or oxazolidinone derivatives, for example LIPIDEON BIOTECHNOLOGY AG (CH) 2007-11-29 — — 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 (4 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-20150166479-A1 PROCESS FOR SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USED IN SAID PROCESS HMGCR, COASY, APOB FAAH 2243/4885GAA 319/4885ALDH1A1 268/4885
US-20090227786-A1 PROCESSES FOR PREPARING INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF EZETIMIBE PCSK9, HMGCR, NPC1L1 FAAH 847/4885GAA 292/4885ALDH1A1 257/4885
US-20120029185-A1 NOVEL INTERMEDIATES IN THE PREPARATION OF 1,4-DIPHENYL AZETIDINONE NDUFV2, DHPS, CYP1B1 FAAH 4302/4885GAA 2324/4885ALDH1A1 123/4885
US-20070275909-A1 Useful in the treatment and prevention of atherosclerosis and for the reduction of cholesterol levels; carbohydrate-containing pyrazolidinone or oxazolidinone derivatives, for example PCSK9, APOB, HMGCR FAAH 3338/4885GAA 1440/4885ALDH1A1 1933/4885

“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.

Send feedback