SCHEMBL6569049

SCHEMBL6569049

CCC12CC[C@H]3[C@H](C1=C(C)C[C@@H]2O)[C@H](C)CC1=CC(=O)CC[C@@H]13

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 3/20 0.55
▸ AR P10275 8/20 0.48
▸ PGR P06401 7/20 0.42
▸ NR3C2 P08235 2/20 0.42
▸ SLC22A1 O15245 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SERPINA6 P08185 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ LMNA P02545 3/20 0.38
▸ SLC6A4 P31645 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ESR1 P03372 2/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ CYP19A1 P11511 2/20 0.36

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
SCHEMBL7139757 1.00 SHBG (0.55) SHBGARPGRNR3C2SLC22A1
SCHEMBL6569048 1.00 SHBG (0.55) SHBGARPGRNR3C2SLC22A1
SCHEMBL7139758 1.00 SHBG (0.55) SHBGARPGRNR3C2SLC22A1
SCHEMBL7138348 0.86 SHBG (0.44) SHBGARPGRNR3C2SLC22A1
SCHEMBL7138349 0.86 SHBG (0.44) SHBGARPGRNR3C2SLC22A1
SCHEMBL6569593 0.84 SHBG (0.65) SHBGARPGRNR3C2SLC22A1
SCHEMBL7141591 0.84 SHBG (0.65) SHBGARPGRNR3C2SLC22A1
SCHEMBL7141546 0.77 SHBG (0.62) SHBGARPGRNR3C2SLC22A1
SCHEMBL6570514 0.77 SHBG (0.62) SHBGARPGRNR3C2SLC22A1
SCHEMBL6570215 0.75 SHBG (0.51) SHBGARPGRNR3C2SLC22A1

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-20040059140-A1 14(15)-unsaturated 15- and/or 16-substituted androgens with mixed androgen-progrestational profile VAN DER LOUW JAPP (NL) 2004-03-25 — — 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-20040059140-A1 14(15)-unsaturated 15- and/or 16-substituted androgens with mixed androgen-progrestational profile HSD17B11, CYP17A1, SHBG SHBG 3/4885AR 32/4885PGR 11/4885

“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.

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