SCHEMBL6356064

SCHEMBL6356064

COc1ccc(C2C(=O)c3cc(OC)cc(OC)c3C2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
HPGD P15428 2/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
MAOA P21397 1/20 0.59
PTGS2 P35354 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAP2K3 P46734 1/20 0.51
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 1/20 0.50
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACHE P22303 1/20 0.43
ELANE P08246 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL13927435 0.85 MAP2K3 (0.52) RAB9ANPC1HPGDTP53MAPT
SCHEMBL13189398 0.85 ALDH1A1 (0.51) RAB9ANPC1HPGDTP53MAPT
SCHEMBL6284499 0.79 RAB9A (0.74) RAB9ANPC1HPGDTP53MAPT
SCHEMBL13169366 0.78 ALDH1A1 (0.43) RAB9ANPC1HPGDTP53MAPT
Anisindione SCHEMBL29688105 0.75 RAB9A (1.00) RAB9ANPC1HPGDTP53MAPT
Anisindione SCHEMBL49379 0.75 RAB9A (1.00) RAB9ANPC1HPGDTP53MAPT
SCHEMBL13927208 0.73 ALDH1A1 (0.44) MAPTMAP2K3ALDH1A1CYP3A4CYP1A2
SCHEMBL30725970 0.71 ALDH1A1 (0.58) RAB9ANPC1HPGDMAPTALDH1A1
SCHEMBL10833433 0.71 RAB9A (0.69) RAB9ANPC1HPGDTP53MAPT
SCHEMBL6324673 0.71 ALDH1A1 (0.58) RAB9ANPC1HPGDMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903238-B2 Substituted indenones as estrogenic agents WYETH (US) 2005-06-07 US disclosed
US-20030166643-A1 Substituted indenones as estrogenic agents WYETH 2003-09-04 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-20030166643-A1 Substituted indenones as estrogenic agents GPER1, ESR2, ESR1 RAB9A 3245/4885NPC1 1845/4885HPGD 1912/4885

“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.