SCHEMBL3193482

SCHEMBL3193482

C=C1CC2(CC)CCC[C@H]2[C@@H]2CCC3=CCCC[C@@H]3[C@@H]12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.60
▸ PGR P06401 4/20 0.60
▸ CHRM2 P08172 3/20 0.60
▸ SLC6A2 P23975 3/20 0.60
▸ SLC6A4 P31645 3/20 0.60
▸ AR P10275 3/20 0.60
▸ ADORA3 P0DMS8 2/20 0.60
▸ PTGS1 P23219 2/20 0.60
▸ SLC6A3 Q01959 2/20 0.60
▸ SHBG P04278 2/20 0.60
▸ OPRM1 P35372 2/20 0.60
▸ NR1I2 O75469 1/20 0.60
▸ NR3C1 P04150 1/20 0.60
▸ DRD1 P21728 1/20 0.60
▸ AGTR1 P30556 1/20 0.60
▸ CCKBR P32239 1/20 0.60
▸ DRD3 P35462 1/20 0.60
▸ PDE4D Q08499 1/20 0.60
▸ KCNH2 Q12809 1/20 0.60
▸ CYP2C19 P33261 2/20 0.45

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
SCHEMBL3193479 1.00 ESR1 (0.60) ESR1PGRCHRM2SLC6A2SLC6A4
SCHEMBL11866439 0.81 SLC6A4 (0.61) ESR1PGRCHRM2SLC6A2SLC6A4
SCHEMBL29395842 0.81 ESR1 (0.41) ESR1PGRCHRM2SLC6A2SLC6A4
SCHEMBL16421288 0.80 PGR (0.76) ESR1PGRCHRM2SLC6A2SLC6A4
SCHEMBL20851703 0.78 ESR1 (0.57) ESR1PGRCHRM2SLC6A2SLC6A4
SCHEMBL20851686 0.78 ESR1 (0.55) ESR1PGRCHRM2SLC6A2SLC6A4
SCHEMBL20851704 0.78 ESR1 (0.55) ESR1PGRCHRM2SLC6A2SLC6A4
SCHEMBL6689499 0.78 ESR1 (0.55) ESR1PGRCHRM2SLC6A2SLC6A4
SCHEMBL28719362 0.78 ESR1 (0.57) ESR1PGRCHRM2SLC6A2SLC6A4
SCHEMBL8675862 0.77 PGR (0.67) ESR1PGRCHRM2SLC6A2SLC6A4

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
US-7667056-B2 Desogestrel synthesis characterized by regioselective reduction of a diketo intermediate 18-methyl-11-hydroxyestr-4-en-3,17-dione; higher yields, easier purification POLI INDUSTRIA CHIMICA S.P.A. (IT) 2010-02-23 — — US disclosed
EP-1525214-B1 PROCESS AND NEW INTERMEDIATES FOR THE PREPARATION OF STEROIDS WITH A PROGESTOGEN ACTIVITY POLI IND CHIMICA SPA (IT) 2006-12-27 — — EP disclosed
US-20050234251-A1 Process and new intermediates for the preparation of steroids with a progestogen activity POLI INDUSTRIA CHEMICA SPA (IT) 2005-10-20 — — 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-20050234251-A1 Process and new intermediates for the preparation of steroids with a progestogen activity CYP19A1, CYP17A1, CYP21A2 ESR1 115/4885PGR 12/4885CHRM2 1081/4885

“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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