SCHEMBL1582437

SCHEMBL1582437

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
SCHEMBL14262755 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-0747341-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE MEVALONOLACTONE COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-11 EP claimed
EP-1375485-B1 METHOD FOR PREPARING 7-QUINOLINYL-3,5-DIHYDROXYHEPT-6-ENOATE NISSAN CHEMICAL IND LTD (JP) 2011-04-20 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
US-7399409-B2 Packing material for separation of optical isomer and method of separating optical isomer with the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-07-15 US disclosed
EP-1334967-A4 PROCESS FOR PRODUCING OPTICALLY ACTIVE ETHYL (3R,5S,6E)-7- 2-CYCLOPROPYL-4-(4-FLUOROPHENYL)QUINOLIN-3-YL -3,5-DIHYDROXY-6-HEPTENOATE DAICEL CHEM (JP) 2008-05-07 EP disclosed
US-20070084796-A1 Filler used for separating optical isomers and process for separating optical isomers with the filler ONISHI ATSUSHI 2007-04-19 US disclosed
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 disclosed
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 disclosed
CN-1468223-A Process for producign optically active ethyl (3r,5s,6e)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxy-6-heptenoate 大赛璐化学工业株式会社 2004-01-14 CN disclosed
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 disclosed
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 disclosed
EP-1331214-A1 PACKING MATERIAL FOR SEPARATION OF OPTICAL ISOMER AND METHOD OF SEPARATING OPTICAL ISOMER WITH THE SAME Daicel Chemical Industries, Ltd. (JP) 2003-07-30 EP disclosed
EP-0747341-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE MEVALONOLACTONE COMPOUNDS DAICEL CHEM (JP) 2002-05-22 EP disclosed
WO-2002030903-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) 2002-04-18 WO 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
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 (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-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.