SCHEMBL5677969

SCHEMBL5677969

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nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
CYP3A4 P08684 4/20 0.67
MAPT P10636 3/20 0.67
TP53 P04637 1/20 0.67
LMNA P02545 6/20 0.63
ESR1 P03372 3/20 0.63
ADORA3 P0DMS8 2/20 0.63
ATM Q13315 2/20 0.63
PGR P06401 1/20 0.63
AR P10275 1/20 0.63
CHRM1 P11229 1/20 0.63
TBXA2R P21731 1/20 0.63
ADRA1A P35348 1/20 0.63
OPRM1 P35372 1/20 0.63
SLC6A3 Q01959 1/20 0.63
AKR1C3 P42330 1/20 0.52
KMT2A Q03164 3/20 0.52
RECQL P46063 3/20 0.52
MEN1 O00255 2/20 0.52
ALOX15 P16050 1/20 0.52

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
SCHEMBL351005 0.80 SMN1; SMN2 (0.67) SMN1; SMN2CYP3A4MAPTTP53LMNA
SCHEMBL351004 0.80 SMN1; SMN2 (0.67) SMN1; SMN2CYP3A4MAPTTP53LMNA
SCHEMBL10960504 0.80 SMN1; SMN2 (0.72) SMN1; SMN2CYP3A4MAPTTP53LMNA
SCHEMBL21540422 0.80 SMN1; SMN2 (0.72) SMN1; SMN2CYP3A4MAPTTP53LMNA
SCHEMBL11209381 0.80 SMN1; SMN2 (0.67) SMN1; SMN2CYP3A4MAPTTP53LMNA
SCHEMBL14094308 0.80 MAPT (1.00) SMN1; SMN2CYP3A4MAPTTP53LMNA
SCHEMBL29616163 0.80 MAPT (1.00) SMN1; SMN2CYP3A4MAPTTP53LMNA
SCHEMBL17302844 0.80 MAPT (1.00) SMN1; SMN2CYP3A4MAPTTP53LMNA
SCHEMBL147461 0.80 MAPT (1.00) SMN1; SMN2CYP3A4MAPTTP53LMNA
SCHEMBL29351015 0.80 MAPT (1.00) SMN1; SMN2CYP3A4MAPTTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270845-A1 16-Hydroxyestratrienes as selectively active estrogens BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-11-30 US disclosed
US-7109360-B1 16-hydroxyestratrienes as selectively active estrogens SCHERING AG (DE) 2006-09-19 US disclosed
EP-1144431-B1 16-HYDROXYESTRATRIENES AS SELECTIVE ESTROGENS SCHERING AG (DE) 2005-12-21 EP disclosed
EP-1580192-A2 16-Hydroxyestratrienes as selective estrogens Schering AG (DE) 2005-09-28 EP 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-20060270845-A1 16-Hydroxyestratrienes as selectively active estrogens ESR1, ESR2, ESRRA SMN1; SMN2 3489/4885CYP3A4 280/4885MAPT 3127/4885

“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.