Sugi Predict

Sugi Predict / Compounds / SCHEMBL4587931

SCHEMBL4587931

SCHEMBL4587931

C#C[C@]12CC[C@]3(C)C[C@H](O)C[C@H]3[C@@H]1CCc1cc(O)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 10/20 0.55
▸ ESR1 P03372 9/20 0.55
▸ NR3C1 P04150 6/20 0.40
▸ PGR P06401 3/20 0.39
▸ AR P10275 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ SHBG P04278 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ SLC22A2 O15244 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ UGT1A1 P22309 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39

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
SCHEMBL4588110 0.89 ESR2 (0.67) ESR2ESR1NR3C1PGRAR
SCHEMBL6260842 0.83 ESR1 (0.49) ESR2ESR1NR3C1PGRAR
SCHEMBL5682088 0.83 ESR1 (0.49) ESR2ESR1NR3C1PGRAR
SCHEMBL4587411 0.78 NR3C1 (0.41) ESR2ESR1NR3C1PGRAR
SCHEMBL6233082 0.78 NR3C1 (0.41) ESR2ESR1NR3C1PGRAR
SCHEMBL6232518 0.78 NR3C1 (0.41) ESR2ESR1NR3C1PGRAR
SCHEMBL1829950 0.78 NR3C1 (0.41) ESR2ESR1NR3C1PGRAR
SCHEMBL6232522 0.78 NR3C1 (0.41) ESR2ESR1NR3C1PGRAR
SCHEMBL4587414 0.78 NR3C1 (0.41) ESR2ESR1NR3C1PGRAR
SCHEMBL6233085 0.78 NR3C1 (0.41) ESR2ESR1NR3C1PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414043-B2 9-α-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2008-08-19 — — US claimed
US-20080132476-A1 SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS KOSEMUND DIRK 2008-06-05 — — US claimed
EP-1517914-B1 9-ALPHA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGEN SCHERING AG (DE) 2005-08-31 — — EP claimed
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2004-05-06 — — US claimed
US-7414043-B2 9-α-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2008-08-19 — — US disclosed
US-20080132476-A1 SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS KOSEMUND DIRK 2008-06-05 — — US disclosed
EP-1517914-B1 9-ALPHA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGEN SCHERING AG (DE) 2005-08-31 — — EP disclosed
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2004-05-06 — — 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 (2 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-20080132476-A1 SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS ESRRA, ESR2, ESR1 ESR2 2/4885ESR1 3/4885NR3C1 122/4885
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens ESRRA, ESR2, HSD17B11 ESR2 2/4885ESR1 7/4885NR3C1 137/4885

“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.