SCHEMBL2664896

SCHEMBL2664896

CCCCOc1cc(C(=O)OC(C)(C)C)cc(OCCCC)c1CC1(C)CO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 0.35
SCN1A P35498 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
HIF1A Q16665 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
RAD52 P43351 1/20 0.35
RXRA P19793 1/20 0.34
CNR2 P34972 1/20 0.33
ALOX15 P16050 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 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
SCHEMBL644039 0.81 BRD4 (0.41) HIF1ARXRA
SCHEMBL2664697 0.78 ESR1 (0.37) ESR1CYP1A2CYP2D6TSHRSLC6A2
SCHEMBL2664953 0.78 ESR1 (0.36) ESR1CYP1A2CYP2D6TSHRSLC6A2
SCHEMBL2664618 0.76 ESR1 (0.46) ESR1CYP1A2CYP2D6TSHRSLC6A2
SCHEMBL2664724 0.76 PPARA (0.40) ESR1CYP1A2CYP2D6TSHRSLC6A2
SCHEMBL2669384 0.74 ESR1 (0.39) ESR1CYP1A2CYP2D6TSHRSLC6A2
SCHEMBL28496689 0.67 ALDH1A1 (0.40) CYP1A2TSHRCNR2
SCHEMBL22847898 0.64 ESR1 (0.55) ESR1CYP1A2CYP2D6TSHRSLC6A2
SCHEMBL9285853 0.64 ESR1 (0.61) ESR1CYP1A2CYP2D6TSHRAKR1C4
SCHEMBL9671812 0.64 CYP1A2 (0.51) CYP1A2CYP2D6TSHRSLC6A2SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463283-B1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases PFIZER PROD INC (US) 2014-06-11 EP disclosed
EP-2463283-A1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases Pfizer Products Inc. (US) 2012-06-13 EP disclosed
US-8119624-B2 Fused phenyl amido heterocyclic compounds PFIZER INC. (US) 2012-02-21 US disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 US disclosed
US-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 US disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US disclosed
WO-2007122482-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2007-11-01 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-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds GCK, GCKR, HK1 ESR1 1647/4885CYP1A2 915/4885CYP2D6 171/4885
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 ESR1 1647/4885CYP1A2 915/4885CYP2D6 171/4885

“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.