SCHEMBL5682160

SCHEMBL5682160

C[C@]12CC[C@@H]3c4ccc(CC(=O)O)cc4CC[C@H]3[C@@H]1C[C@@H](CC(=O)O)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
HSD17B1 P14061 5/20 0.44
LMNA P02545 3/20 0.43
HIF1A Q16665 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ESR1 P03372 5/20 0.43
ESR2 Q92731 4/20 0.43
STS P08842 3/20 0.43
PGR P06401 2/20 0.43
SERPINA6 P08185 2/20 0.43
AR P10275 2/20 0.43
SLC6A4 P31645 2/20 0.43
SNCA P37840 2/20 0.43

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
SCHEMBL5682100 0.87 STS (0.42) SHBGKDM4EALDH1A1CA1CA2
SCHEMBL4589680 0.85 LMNA (0.57) KDM4EALDH1A1HSD17B1LMNAHIF1A
SCHEMBL4589686 0.85 LMNA (0.57) KDM4EALDH1A1HSD17B1LMNAHIF1A
SCHEMBL10534259 0.83 SHBG (0.68) SHBGKDM4EALDH1A1CA1CA2
SCHEMBL7079771 0.80 HSD17B1 (0.65) SHBGKDM4EALDH1A1CA1CA2
SCHEMBL15307733 0.80 SHBG (0.49) SHBGALDH1A1CA1CA2CA5A
SCHEMBL16148802 0.79 STS (0.70) SHBGKDM4EALDH1A1CA1CA2
SCHEMBL11252223 0.78 ESR1 (0.69) SHBGALDH1A1LMNAHIF1AMAPT
SCHEMBL6243952 0.77 KDM4E (0.47) SHBGKDM4EALDH1A1CA1CA2
SCHEMBL6243954 0.77 KDM4E (0.47) SHBGKDM4EALDH1A1CA1CA2

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-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

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 SHBG 7/4885KDM4E 973/4885ALDH1A1 1002/4885

“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.