SCHEMBL2947752

SCHEMBL2947752

C=CCOC1CCC(NC(=O)Cc2c(C)cc(Cl)cc2C)(C(=O)OCC)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
PKM P14618 1/20 0.31
FKBP1A P62942 1/20 0.30
P2RX7 Q99572 3/20 0.30
ATF4 P18848 1/20 0.30

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
SCHEMBL13237415 0.85 P2RX7 (0.33) EPHX2P2RX7ATF4
SCHEMBL3732990 0.85 P2RX7 (0.35) P2RX7ATF4
SCHEMBL2525179 0.83 P2RX7 (0.32) P2RX7
SCHEMBL6290175 0.80 P2RX7 (0.35) P2RX7
SCHEMBL2947754 0.79 KMT2A (0.33) EPHX2
SCHEMBL7872058 0.78 P2RX7 (0.40) EPHX2P2RX7
SCHEMBL4501235 0.77 MEN1 (0.33) P2RX7
SCHEMBL5430882 0.77 GRM1 (0.34) P2RX7
SCHEMBL13039907 0.77 P2RX7 (0.35) P2RX7
SCHEMBL20021197 0.76 P2RX7 (0.33) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314254-B2 Substituted spirocyclic ketoenols BAYER CROPSCIENCE AG (DE) 2012-11-20 US disclosed
US-8314254-B2 Substituted spirocyclic ketoenols BAYER CROPSCIENCE AG (DE) 2012-11-20 US disclosed
US-8314254-B2 Substituted spirocyclic ketoenols BAYER CROPSCIENCE AG (DE) 2012-11-20 US disclosed
EP-2233466-A1 4-Alkoxy-1-amino-1-cyclohexanecarboxylic acid derivatives and their use as intermediates Bayer CropScience AG (DE) 2010-09-29 EP disclosed
US-20100234229-A1 Substituted Spirocyclic Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-09-16 US disclosed
US-20100234229-A1 Substituted Spirocyclic Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-09-16 US disclosed
US-20100234229-A1 Substituted Spirocyclic Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-09-16 US disclosed
US-7754654-B2 Substituted spirocyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-07-13 US disclosed
US-7754654-B2 Substituted spirocyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-07-13 US disclosed
US-20070275858-A1 SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2007-11-29 US disclosed
US-20070275858-A1 SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 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 (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-20070275858-A1 SUBSTITUTED SPIROCYCLIC KETOENOLS PDHX, CYP19A1, AKR1A1 EPHX2 117/4885PKM 336/4885FKBP1A 893/4885
US-20100234229-A1 Substituted Spirocyclic Ketoenols HSD17B7, CYP17A1, HSD17B11 EPHX2 352/4885PKM 447/4885FKBP1A 887/4885

“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.