SCHEMBL2898752

SCHEMBL2898752

CCOC(=O)CC(O)CC(O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.80
PDE4D Q08499 2/20 0.80
NR1I2 O75469 1/20 0.80
HMGCR P04035 5/20 0.77
RXRA P19793 3/20 0.77
PRKAA2 P54646 1/20 0.47
CYP2C9 P11712 3/20 0.45
SIRT6 Q8N6T7 2/20 0.45
TBXA2R P21731 2/20 0.45
ADRA1A P35348 2/20 0.45
ABCC3 O15438 1/20 0.45
ABCB11 O95342 1/20 0.45
PGR P06401 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CCKAR P32238 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC10A1 Q14973 1/20 0.45
ESR1 P03372 1/20 0.44
CHRM1 P11229 1/20 0.44
PDE4A P27815 1/20 0.44

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
SCHEMBL30881627 1.00 NR4A2 (0.80) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL3529615 1.00 NR4A2 (0.80) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL14273685 1.00 NR4A2 (0.80) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL30291805 1.00 NR4A2 (0.80) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL30203740 1.00 NR4A2 (0.80) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL14273684 1.00 NR4A2 (0.80) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL10153166 1.00 NR4A2 (0.80) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL2904607 1.00 NR4A2 (0.80) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL1582433 1.00 NR4A2 (0.80) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL1582437 1.00 NR4A2 (0.80) NR4A2PDE4DNR1I2HMGCRRXRA

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1623978-B1 METHOD FOR PRODUCING ETHYL (3R, 5S, 6E)-7-[2-CYCLOPROPYL-4-( 4-FLUOROPHENYL)QUINOLINE-3-YL]-3,5-DIHYDROXY-6-HEPTENOATE DAICEL CHEM (JP) 2010-08-11 EP claimed
US-7550596-B2 Method of producing ethyl (3R, 5S, 6E)-7-[2 cyclopropyl-4-(fluorophenyl) quinoline-3-yl]-3, 5-dihydroxy-6-heptenoate DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-06-23 US claimed
CN-100408562-C Method of producing ethyl (3r, 5s, 6e)-7-[2 cyclopropyl-4-(fluorophenyl) quinoline-3-yl]-3, 5-dihydroxy-6-heptenoate NISSAN CHEMICAL IND LTD (JP) 2008-08-06 CN claimed
CN-1809537-A Method of producing ethyl (3r, 5s, 6e)-7-[2 cyclopropyl-4-(fluorophenyl) quinoline-3-yl]-3, 5-dihydroxy-6-heptenoate NISSAN CHEMICAL IND LTD (JP) 2006-07-26 CN claimed
US-20060089381-A1 Method of producing Ethyl (3R, 5S, 6E)-7-[2 cyclopropyl-4-(fluorophenyl) quinoline-3-yl]-3, 5-dihydroxy-6-heptenoate DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-04-27 US claimed
EP-1623978-A1 METHOD FOR PRODUCING ETHYL (3R, 5S, 6E)-7- 2-CYCLOPROPYL-4-( 4-FLUOROPHENYL)QUINOLINE-3-YL -3,5-DIHYDROXY-6-HEPTENOATE DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2006-02-08 EP claimed
US-6946557-B2 Process for producing optically active ethyl (3R, 5S, 6E)-7-[2-cycloproply-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxy-6-heptenoate DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-20 US claimed
US-20050075502-A1 Process for producing optically active ethly (3r, 5s, 6e)-7- [2-cycloproply-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxy-6-heptenoate NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-04-07 US claimed
CN-1136183-C Process for producing optically active mevalonolactone compound ���ƻ�ѧ��ҵ��ʽ���� 2004-01-28 CN claimed
EP-1334967-A1 PROCESS FOR PRODUCIGN OPTICALLY ACTIVE ETHYL (3R,5S,6E)-7- 2-CYCLOPROPYL-4-(4-FLUOROPHENYL)QUINOLIN-3-YL]-3,5-DIHYDROXY-6-HEPTENOATE Daicel Chemical Industries, Ltd. (JP) 2003-08-13 EP claimed
EP-0747341-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE MEVALONOLACTONE COMPOUNDS DAICEL CHEM (JP) 2002-05-22 EP claimed
US-5939552-A RESOLUTION OF ENANTIOMORPHS WITH BATCH SYSTEM CHROMATOGRAPHY OR MOVING BED CHROMATOGRAPHY DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-17 US claimed
CN-1141028-A Process for producing optically active mevalonolactone compound DAICEL CHEM (JP) 1997-01-22 CN claimed
EP-0747341-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE MEVALONOLACTONE COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-11 EP claimed
EP-1623978-B1 METHOD FOR PRODUCING ETHYL (3R, 5S, 6E)-7-[2-CYCLOPROPYL-4-( 4-FLUOROPHENYL)QUINOLINE-3-YL]-3,5-DIHYDROXY-6-HEPTENOATE DAICEL CHEM (JP) 2010-08-11 EP disclosed
US-7749389-B2 Filler used for separating optical isomers and process for separating optical isomers with the filler DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-07-06 US disclosed
CN-1845899-B Process for producing high purity 3,5-dihydroxy-6-heptenoic acid derivative NISSAN CHEMICAL IND LTD 2010-04-28 CN disclosed
US-5939552-A RESOLUTION OF ENANTIOMORPHS WITH BATCH SYSTEM CHROMATOGRAPHY OR MOVING BED CHROMATOGRAPHY DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-17 US disclosed
CN-1141028-A Process for producing optically active mevalonolactone compound DAICEL CHEM (JP) 1997-01-22 CN disclosed
EP-0747341-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE MEVALONOLACTONE COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-11 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 (2 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-20060089381-A1 Method of producing Ethyl (3R, 5S, 6E)-7-[2 cyclopropyl-4-(fluorophenyl) quinoline-3-yl]-3, 5-dihydroxy-6-heptenoate UGT1A6, RPL6, CXCR6 NR4A2 3641/4885PDE4D 666/4885NR1I2 3070/4885
US-20050075502-A1 Process for producing optically active ethly (3r, 5s, 6e)-7- [2-cycloproply-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxy-6-heptenoate CNPY3, CYP8B1, HPD NR4A2 3842/4885PDE4D 247/4885NR1I2 3858/4885

“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.