SCHEMBL6570514

SCHEMBL6570514

CCC1=C2[C@H]3[C@H](CC[C@]2(C)[C@@H](O)C1)[C@H]1CCC(=O)C=C1C[C@H]3C

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 3/20 0.62
▸ AR P10275 7/20 0.52
▸ SERPINA6 P08185 2/20 0.44
▸ SLC22A1 O15245 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ CYP19A1 P11511 2/20 0.41
▸ PGR P06401 7/20 0.41
▸ NR3C2 P08235 2/20 0.41
▸ LMNA P02545 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL7141546 1.00 SHBG (0.62) SHBGARSERPINA6SLC22A1ALDH1A1
SCHEMBL6569056 0.88 SHBG (0.50) SHBGARSERPINA6SLC22A1ALDH1A1
SCHEMBL6569593 0.85 SHBG (0.65) SHBGARSERPINA6SLC22A1ALDH1A1
SCHEMBL7141591 0.85 SHBG (0.65) SHBGARSERPINA6SLC22A1ALDH1A1
SCHEMBL6569049 0.77 SHBG (0.55) SHBGARSERPINA6SLC22A1ALDH1A1
SCHEMBL7139757 0.77 SHBG (0.55) SHBGARSERPINA6SLC22A1ALDH1A1
SCHEMBL6569048 0.77 SHBG (0.55) SHBGARSERPINA6SLC22A1ALDH1A1
SCHEMBL7139758 0.77 SHBG (0.55) SHBGARSERPINA6SLC22A1ALDH1A1
SCHEMBL6711427 0.76 SHBG (1.00) SHBGARSERPINA6SLC22A1ALDH1A1
SCHEMBL6570215 0.76 SHBG (0.51) SHBGARSERPINA6SLC22A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514459-B1 THERMALLY-REVERSIBLE ISOCYANATE POLYMERS BATTELLE MEMORIAL INSTITUTE (US) 2004-04-14 — — EP disclosed
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
EP-0848025-A2 A process for forming a finish surface on a composite material BATTELLE MEMORIAL INSTITUTE (US) 1998-06-17 — — EP disclosed
US-5470945-A Dissociation BATTELLE MEMORIAL INSTITUTE (US) 1995-11-28 — — US disclosed
EP-0598039-A1 THERMALLY REVERSIBLE ISOCYANATE-BASED POLYMERS BATTELLE MEMORIAL INSTITUTE (US) 1994-05-25 — — EP disclosed
WO-1993003080-A2 THERMALLY REVERSIBLE ISOCYANATE-BASED POLYMERS BATTELLE MEMORIAL INSTITUTE (US) 1993-02-18 — — WO disclosed
US-5097010-A Thermally-reversible isocyanate polymers BATTELLE MEMORIAL INSTITUTE (US) 1992-03-17 — — 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 32/4885SERPINA6 30/4885

“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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