SCHEMBL4623201

SCHEMBL4623201

C[C@]12CC[C@]3(C)c4ccccc4CC[C@H]3[C@@H]1C[C@@H](O)C2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR1H2 P55055 5/20 0.39
NR1H3 Q13133 5/20 0.39
STS P08842 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL5682088 0.84 ESR1 (0.49) LMNASTSHTR2B
SCHEMBL6260842 0.84 ESR1 (0.49) LMNASTSHTR2B
SCHEMBL23950970 0.72 CYP3A4 (0.33) SRD5A1
3Alpha-Hydroxy-4,4-Bisnor-8,11,13-Podocarpatriene SCHEMBL12998486 0.72 LMNA (0.57) SRD5A1LMNATDP1NR1H2NR1H3
3Alpha-Hydroxy-4,4-Bisnor-8,11,13-Podocarpatriene SCHEMBL5527834 0.72 LMNA (0.57) SRD5A1LMNATDP1NR1H2NR1H3
SCHEMBL5682532 0.70 SHBG (0.48) LMNASTSHTR2B
SCHEMBL7213779 0.70 SRD5A1 (0.40) SRD5A1LMNATDP1NR1H2NR1H3
SCHEMBL8518161 0.70 SHBG (0.48) LMNASTSHTR2B
SCHEMBL5682603 0.70 SHBG (0.48) LMNASTSHTR2B
SCHEMBL26237102 0.69 SRD5A1 (0.46) SRD5A1LMNATDP1NR1H2NR1H3

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-1365768-B1 USE OF ER-BETA SELECTIVE ANTAGONISTS AS CONTRACEPTIVES BAYER SCHERING PHARMA AG (DE) 2008-05-07 EP disclosed
US-6794409-B2 HOMOSTEROIDS SUCH AS 17-CHLORO-17A-ALPHA-ETHINYL-17A, 18A-DIHOMO-ESTRA-1,3,5(10),16-TETRAENE-3,17A BETA-DIOL; WITHOUT USE OF PROGESTIN; CONTRACEPTION; FOR TREATMENT OF PROLIFERATIVE DISEASES OF THE OVARY SCHERING AG (DE) 2004-09-21 US disclosed
US-20030083377-A1 Use of ERbeta-selective ligands for regulating fertility and compounds useful therefor SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-01 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-20030083377-A1 Use of ERbeta-selective ligands for regulating fertility and compounds useful therefor ESRRA, ESRRB, ESR2 SRD5A1 84/4885LMNA 4408/4885TDP1 4243/4885

“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.