SCHEMBL2742797

SCHEMBL2742797

COCOc1ccc(C2COc3cc(C)ccc3C2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
PPARG P37231 4/20 0.41
PPARD Q03181 4/20 0.41
FFAR1 O14842 4/20 0.41
USP2 O75604 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
LTB4R Q15722 3/20 0.36
LTB4R2 Q9NPC1 3/20 0.36
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN1 P18031 1/20 0.34
ROR1 Q01973 1/20 0.33
KCNH2 Q12809 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MAOB P27338 1/20 0.33
CYP19A1 P11511 1/20 0.32

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
SCHEMBL2007995 0.92 CYP3A4 (0.46) CYP3A4PPARGPPARDFFAR1USP2
SCHEMBL12314665 0.84 CYP3A4 (0.47) CYP3A4PPARGPPARDFFAR1USP2
SCHEMBL14338686 0.84 CYP3A4 (0.47) CYP3A4PPARGPPARDFFAR1USP2
SCHEMBL12992985 0.80 LMNA (0.44) CYP3A4PPARGPPARDFFAR1USP2
SCHEMBL12993092 0.80 LMNA (0.44) CYP3A4PPARGPPARDFFAR1USP2
SCHEMBL19418882 0.77 CYP3A4 (0.54) CYP3A4USP2LTB4RLTB4R2MAPT
SCHEMBL14076892 0.75 MEN1 (0.48) CYP3A4ESR1ESR2MAPTMAOB
SCHEMBL12749671 0.75 MEN1 (0.48) CYP3A4ESR1ESR2MAPTMAOB
SCHEMBL12946428 0.74 CYP3A4 (0.47) CYP3A4PPARGPPARDFFAR1USP2
SCHEMBL2070035 0.74 CYP3A4 (0.53) CYP3A4USP2ESR1ESR2LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716497-B2 Method for enantioselective hydrogenation of chromenes CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2014-05-06 US disclosed
US-20130116450-A1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES GIRINDUS AMERICA, INC. (US) 2013-05-09 US disclosed
US-8263790-B2 Method for enantioselective hydrogenation of chromenes CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2012-09-11 US disclosed
US-20120004427-A1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES GIRINDUS AMERICA, INC. (US) 2012-01-05 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-20130116450-A1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES HRH3, HRH2, CHD8 CYP3A4 487/4885PPARG 256/4885PPARD 184/4885
US-20120004427-A1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES HRH3, HRH2, CHD8 CYP3A4 487/4885PPARG 256/4885PPARD 184/4885

“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.