SCHEMBL5155997

SCHEMBL5155997

C=C(F)[C@H]1CC[C@H]2[C@@H]3CCc4cccc(O[Si](C)(C)C(C)(C)C)c4[C@H]3CC[C@]12C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.39
SRD5A1 P18405 1/20 0.39
HSD17B10 Q99714 6/20 0.38
ESR1 P03372 5/20 0.38
LMNA P02545 4/20 0.38
ESR2 Q92731 3/20 0.38
TSHR P16473 2/20 0.38
PGR P06401 2/20 0.38
AR P10275 2/20 0.38
SLC6A3 Q01959 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7132037 0.77 STS (0.49) HSD17B10ESR1LMNAESR2PGR
SCHEMBL6569494 0.76 ESR1 (0.40) ESR1LMNAESR2PGRAR
SCHEMBL7060055 0.73 STS (0.34) HSD17B10ESR1LMNAESR2PGR
SCHEMBL7671623 0.73 ESR1 (0.50) SRD5A2SRD5A1HSD17B10ESR1LMNA
SCHEMBL8998250 0.72 HSD17B10 (0.62) HSD17B10ESR1LMNAESR2TSHR
SCHEMBL16536122 0.68 ACHE (0.33) CHRM1
SCHEMBL16536413 0.68 ACHE (0.36) CHRM1
SCHEMBL31508375 0.68 HSD17B10 (0.53) HSD17B10ESR1LMNAESR2TSHR
SCHEMBL10715584 0.68 HSD17B10 (0.46) HSD17B10ESR1LMNAESR2TSHR
SCHEMBL14026325 0.67 HSD17B10 (0.74) HSD17B10ESR1LMNAESR2TSHR

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-20070123500-A1 Prodrugs of ERbeta-selective substances, processes for their preparation and pharmaceutical compositions comprising these compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-05-31 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-20070123500-A1 Prodrugs of ERbeta-selective substances, processes for their preparation and pharmaceutical compositions comprising these compounds CYP19A1, ESR2, HSD17B11 SRD5A2 27/4885SRD5A1 25/4885HSD17B10 169/4885

“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.