SCHEMBL20851689

SCHEMBL20851689

C=C1CC2(CC)C(O)CCC2C2CCC3=CC(=O)CCC3C12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.58
▸ PGR P06401 6/20 0.58
▸ SHBG P04278 4/20 0.58
▸ ESR1 P03372 4/20 0.58
▸ OPRM1 P35372 3/20 0.58
▸ SERPINA6 P08185 2/20 0.49
▸ SLC22A1 O15245 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ LMNA P02545 4/20 0.41
▸ SLC6A4 P31645 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NR3C1 P04150 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ CYP19A1 P11511 2/20 0.39
▸ MAPT P10636 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
SCHEMBL13907662 1.00 AR (0.58) ARPGRSHBGESR1OPRM1
SCHEMBL15515496 1.00 AR (0.58) ARPGRSHBGESR1OPRM1
SCHEMBL14946867 1.00 AR (0.58) ARPGRSHBGESR1OPRM1
SCHEMBL23397835 0.89 SHBG (0.51) ARPGRSHBGESR1OPRM1
SCHEMBL20851695 0.89 SHBG (0.51) ARPGRSHBGESR1OPRM1
SCHEMBL22648669 0.83 SHBG (0.64) ARPGRSHBGESR1OPRM1
SCHEMBL20851703 0.81 ESR1 (0.57) ARPGRSHBGESR1OPRM1
SCHEMBL28719362 0.81 ESR1 (0.57) ARPGRSHBGESR1OPRM1
SCHEMBL12446091 0.80 SHBG (0.69) ARPGRSHBGESR1SERPINA6
SCHEMBL4437111 0.80 SHBG (0.69) ARPGRSHBGESR1SERPINA6

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-11034716-B2 Process and new intermediates for the preparation of 11-methylene steroids CRYSTAL PHARMA, S.A.U. (ES) 2021-06-15 — — US disclosed
US-20190092807-A1 PROCESS AND NEW INTERMEDIATES FOR THE PREPARATION OF 11-METHYLENE STEROIDS CURIA SPAIN, S.A.U. (ES) 2019-03-28 — — 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-11034716-B2 Process and new intermediates for the preparation of 11-methylene steroids CYP17A1, HSD17B11, CYP19A1 AR 70/4885PGR 38/4885SHBG 25/4885
US-20190092807-A1 PROCESS AND NEW INTERMEDIATES FOR THE PREPARATION OF 11-METHYLENE STEROIDS CYP19A1, CYP17A1, HSD17B11 AR 90/4885PGR 29/4885SHBG 31/4885

“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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