SCHEMBL6902458

SCHEMBL6902458

CCOC(=O)C=C1CC(OC)(OC)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 4/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 4/20 0.39
MAPK1 P28482 3/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
RECQL P46063 2/20 0.35
CASP1 P29466 1/20 0.35
PRKCA P17252 4/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL28241606 0.81 ESR2 (0.44) ESR2KDM4ELMNAHPGDMAPK1
SCHEMBL27273922 0.81 ESR2 (0.44) ESR2KDM4ELMNAHPGDMAPK1
SCHEMBL10188591 0.79 ESR2 (0.44) ESR2KDM4ELMNAHPGDMAPK1
SCHEMBL3084109 0.79 ESR2 (0.42) ESR2KDM4ELMNAHPGDMAPK1
SCHEMBL22412934 0.77 ESR2 (0.41) ESR2KDM4ELMNAHPGDMAPK1
SCHEMBL6614748 0.77 HPGD (0.41) ESR2KDM4ELMNAHPGDMAPK1
SCHEMBL16710261 0.77 KDM4E (0.45) ESR2KDM4ELMNAHPGDMAPK1
SCHEMBL2502784 0.77
SCHEMBL31217645 0.76 HPGD (0.40) ESR2KDM4ELMNAHPGDMAPK1
SCHEMBL22026249 0.76 KDM4E (0.41) ESR2KDM4ELMNAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 US disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 US disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
WO-2011051165-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-05 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 (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-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH ESR2 2013/4885KDM4E 3557/4885LMNA 340/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH ESR2 2013/4885KDM4E 3557/4885LMNA 340/4885

“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.