SCHEMBL1814587

SCHEMBL1814587

CCOC(=O)C1CCCCC1C(=O)Cc1c(Cl)cc(C)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.52
TAS1R1 Q7RTX1 2/20 0.52
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.39
CA1 P00915 8/20 0.39
CA2 P00918 8/20 0.39
CA9 Q16790 7/20 0.39
CA12 O43570 5/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL1152627 0.81 TAS1R3 (0.44) TAS1R3TAS1R1POLBTSHRCA1
SCHEMBL8022828 0.80 TP53 (0.39) TAS1R3TAS1R1POLBKDM4EMEN1
SCHEMBL8708085 0.78 POLB (0.40) TAS1R3TAS1R1POLBTSHRCA1
SCHEMBL2687043 0.76 TAS1R3 (0.36) TAS1R3TAS1R1POLBTSHRCA1
SCHEMBL6928309 0.75 ALDH1A1 (0.49) TAS1R3TAS1R1POLBTSHRKDM4E
SCHEMBL8703906 0.75 POLB (0.39) POLBCA1CA2CA9CA12
SCHEMBL812203 0.75 ATM (0.41) TAS1R3TAS1R1KDM4EMEN1KMT2A
SCHEMBL5733102 0.74 KMT2A (0.40) TAS1R3TAS1R1POLBTSHRKDM4E
SCHEMBL1812603 0.74 SMN1; SMN2 (0.42) TAS1R3TAS1R1POLBTSHRKDM4E
SCHEMBL24841250 0.72 CYP3A4 (0.46) POLBKDM4EMEN1KMT2APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-01 US disclosed
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-01 US disclosed
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-01 US disclosed
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-7947704-B2 2,4,6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-05-24 US disclosed
US-7947704-B2 2,4,6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-05-24 US disclosed
US-7947704-B2 2,4,6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-05-24 US disclosed
US-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
US-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
US-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
EP-1732930-A2 2,4,6-PHENYLSUBSTITUTED CYCLIC KETOENOLES Bayer CropScience Aktiengesellschaft (DE) 2006-12-20 EP disclosed
WO-2005092897-A2 2,4,6-PHENYLSUBSTITUTED CYCLIC KETOENOLES BAYER CROPSCIENCE AG (DE) 2005-10-06 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 (3 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-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols CYP4X1, KCNE1, KDM4E TAS1R3 4459/4885TAS1R1 4551/4885POLB 3290/4885
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols CYP4X1, KCNE1, KDM4E TAS1R3 4459/4885TAS1R1 4551/4885POLB 3290/4885
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives CYP4X1, KDM4E, KCNE1 TAS1R3 4495/4885TAS1R1 4588/4885POLB 3461/4885

“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.