SCHEMBL5241998

SCHEMBL5241998

COc1ccc(OC)c(-c2coc3cc(OC)ccc3c2=O)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.74
RAB9A P51151 7/20 0.74
NPC1 O15118 5/20 0.74
KDM4E B2RXH2 8/20 0.71
ALDH1A1 P00352 6/20 0.71
HPGD P15428 6/20 0.71
SMN1; SMN2 Q16637 6/20 0.71
CYP3A4 P08684 4/20 0.71
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
TP53 P04637 3/20 0.71
HSD17B10 Q99714 6/20 0.67
XDH P47989 1/20 0.64
USP2 O75604 1/20 0.60
GLA P06280 1/20 0.60
MAOA P21397 3/20 0.58
MAOB P27338 3/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58

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
SCHEMBL4832045 0.90 RAB9A (0.72) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL7054594 0.89 KDM4E (0.83) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL27916248 0.85 KDM4E (0.80) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL29482681 0.85 RAB9A (1.00) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL571161 0.85 RAB9A (1.00) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL1675988 0.83 RAB9A (0.71) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL762092 0.83 MAPT (1.00) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL2971118 0.83 XDH (0.76) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL571576 0.82 XDH (0.84) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL5504492 0.82 MAPT (0.82) MAPTRAB9ANPC1KDM4EALDH1A1

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
EP-1761513-A1 TETRACYCLIC COMPOUNDS AS ESTROGEN LIGANDS Wyeth (US) 2007-03-14 EP disclosed
WO-2006007503-A1 TETRACYCLIC COMPOUNDS AS ESTROGEN LIGANDS WYETH (US) 2006-01-19 WO disclosed
US-20060004087-A1 Tetracyclic compounds as estrogen ligands WYETH (US) 2006-01-05 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 (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-20060004087-A1 Tetracyclic compounds as estrogen ligands ESR1, ESRRA, ESR2 MAPT 3784/4885RAB9A 826/4885NPC1 2911/4885

“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.