SCHEMBL5242883

SCHEMBL5242883

COc1cc(C#N)c(OC)c(-c2coc3cc(OC)ccc3c2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
KDM4E B2RXH2 4/20 0.59
HPGD P15428 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
CYP3A4 P08684 3/20 0.59
TP53 P04637 2/20 0.59
XDH P47989 1/20 0.54
HSD17B10 Q99714 3/20 0.51
HIF1A Q16665 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MAOA P21397 8/20 0.49
MAOB P27338 8/20 0.49
LMNA P02545 2/20 0.49

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
SCHEMBL11550870 0.81 RAB9A (0.60) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5241998 0.77 MAPT (0.74) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2971118 0.75 XDH (0.76) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL762092 0.75 MAPT (1.00) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7054594 0.75 KDM4E (0.83) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL571576 0.74 XDH (0.84) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5504492 0.74 MAPT (0.82) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4832045 0.74 RAB9A (0.72) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30527861 0.74 MAPT (0.82) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5242194 0.73 PPARG (0.68) MAPTNPC1RAB9AALDH1A1SMN1; SMN2

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 3784/4885NPC1 2911/4885RAB9A 826/4885

“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.