SCHEMBL2069980

SCHEMBL2069980

CC(=O)Oc1ccc2c(c1)OC[C@@H](c1ccccc1)[C@H]2O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
PTPN1 P18031 1/20 0.44
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A4 P31645 1/20 0.43
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LTB4R Q15722 5/20 0.40
LTB4R2 Q9NPC1 5/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP19A1 P11511 2/20 0.40
ACHE P22303 2/20 0.39
FFAR1 O14842 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL2069977 1.00 CYP3A4 (0.45) CYP3A4PTPN1ADRA2AADRA2CSLC6A4
SCHEMBL2071188 1.00 CYP3A4 (0.45) CYP3A4PTPN1ADRA2AADRA2CSLC6A4
SCHEMBL2069981 1.00 CYP3A4 (0.45) CYP3A4PTPN1ADRA2AADRA2CSLC6A4
SCHEMBL2069802 0.93 CYP3A4 (0.45) CYP3A4PTPN1ADRA2AADRA2CSLC6A4
SCHEMBL2069030 0.93 CYP3A4 (0.45) CYP3A4PTPN1ADRA2AADRA2CSLC6A4
SCHEMBL7503993 0.93 CYP3A4 (0.45) CYP3A4PTPN1ADRA2AADRA2CSLC6A4
SCHEMBL2069028 0.93 CYP3A4 (0.45) CYP3A4PTPN1ADRA2AADRA2CSLC6A4
SCHEMBL1725625 0.93 CYP3A4 (0.44) CYP3A4ADRA2AADRA2CSLC6A4MAPT
SCHEMBL2070082 0.93 CYP3A4 (0.44) CYP3A4ADRA2AADRA2CSLC6A4MAPT
SCHEMBL1724275 0.93 CYP3A4 (0.44) CYP3A4ADRA2AADRA2CSLC6A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906660-B2 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD (AU) 2011-03-15 US disclosed
US-20060217564-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2006-09-28 US disclosed
US-20050143588-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2005-06-30 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-20060217564-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 CYP3A4 14/4885PTPN1 4603/4885ADRA2A 4367/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 CYP3A4 14/4885PTPN1 4603/4885ADRA2A 4367/4885

“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.