SCHEMBL4427157

SCHEMBL4427157

CC(=O)Oc1ccc2c(c1C)OC[C@@H](c1ccccc1)[C@@H]2O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
PTPN1 P18031 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ESR1 P03372 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HMGB1 P09429 1/20 0.35
HPGD P15428 1/20 0.35
GGT1 P19440 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
BLM P54132 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GBA1 P04062 1/20 0.34

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
SCHEMBL4427159 1.00 ACHE (0.37) ACHECYP3A4KDM4EGAAPTPN1
SCHEMBL2072015 0.89 LMNA (0.37) ACHECYP3A4KDM4EGAAPTPN1
SCHEMBL2069335 0.89 LMNA (0.37) ACHECYP3A4KDM4EGAAPTPN1
SCHEMBL2071317 0.89 LMNA (0.37) ACHECYP3A4KDM4EGAAPTPN1
SCHEMBL2072017 0.89 LMNA (0.37) ACHECYP3A4KDM4EGAAPTPN1
SCHEMBL7553469 0.89 LMNA (0.40) ACHECYP3A4KDM4EGAAPTPN1
SCHEMBL2071208 0.89 LMNA (0.40) ACHECYP3A4KDM4EGAAPTPN1
SCHEMBL2069840 0.89 LMNA (0.40) ACHECYP3A4KDM4EGAAPTPN1
SCHEMBL2072032 0.89 LMNA (0.40) ACHECYP3A4KDM4EGAAPTPN1
SCHEMBL2072034 0.89 LMNA (0.40) ACHECYP3A4KDM4EGAAPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2009-09-17 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 (1 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-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB ACHE 1155/4885CYP3A4 2407/4885KDM4E 3617/4885

“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.