SCHEMBL7861153

SCHEMBL7861153

C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@H]43)[C@@H]1CCC2=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 16/20 0.66
▸ CYP2C19 P33261 2/20 0.55
▸ ESR1 P03372 2/20 0.55
▸ CHRM2 P08172 2/20 0.55
▸ SLC6A2 P23975 2/20 0.55
▸ SLC6A4 P31645 2/20 0.55
▸ ACHE P22303 1/20 0.55
▸ PGR P06401 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ MAOA P21397 1/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.51
▸ AR P10275 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ PTGS1 P23219 1/20 0.51

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
SCHEMBL6695851 0.82 SLC6A4 (0.57) CYP19A1CYP2C19ESR1CHRM2SLC6A2
SCHEMBL11866158 0.82 SLC6A4 (0.57) CYP19A1CYP2C19ESR1CHRM2SLC6A2
SCHEMBL11854328 0.80 ESR1 (0.52) CYP19A1CYP2C19ESR1CHRM2SLC6A2
SCHEMBL7862313 0.80 CYP19A1 (0.46) CYP19A1
SCHEMBL11632217 0.80 CYP19A1 (1.00) CYP19A1CYP2C19ESR1SLC6A4PGR
SCHEMBL21807725 0.80 CYP19A1 (1.00) CYP19A1CYP2C19ESR1SLC6A4PGR
SCHEMBL16387354 0.80 CYP19A1 (1.00) CYP19A1CYP2C19ESR1SLC6A4PGR
SCHEMBL868884 0.80 CYP19A1 (1.00) CYP19A1CYP2C19ESR1SLC6A4PGR
SCHEMBL17831183 0.80 CYP19A1 (1.00) CYP19A1CYP2C19ESR1SLC6A4PGR
SCHEMBL12413521 0.80 CYP19A1 (1.00) CYP19A1CYP2C19ESR1SLC6A4PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115448969-B Refining method of desogestrel 上海格苓凯生物科技有限公司 2024-05-28 — — CN claimed
CN-115448969-A Refining method of desogestrel 上海格苓凯生物科技有限公司 2022-12-09 — — CN claimed
WO-2024237614-A1 JAPANESE KEYBOARD AND JAPANESE INPUT METHOD 이학준 2024-11-21 — — WO disclosed
CN-115448969-B Refining method of desogestrel 上海格苓凯生物科技有限公司 2024-05-28 — — CN disclosed
CN-115448969-B Refining method of desogestrel 上海格苓凯生物科技有限公司 2024-05-28 — — CN disclosed
CN-115448969-A Refining method of desogestrel 上海格苓凯生物科技有限公司 2022-12-09 — — CN disclosed
US-20220089637-A1 STEROID COMPOUND, AND USE THEREOF AND PREPARATION METHOD THEREFOR Chengdu kanghong pharmaceutical co ltd (CN) 2022-03-24 — — US disclosed
EP-0709394-B1 Steroids with a 17-spiromethylene lactone or lactol group AKZO NOBEL NV (NL) 2001-01-31 — — EP disclosed
US-5741786-A PROGESTATIONAL ACTIVITY, USED AS CONTRACEPTIVES AKZO NOBEL N.V. (NL) 1998-04-21 — — US disclosed
EP-0709394-A2 Steroids with a 17-spiromethylene lactone or lactol group Akzo Nobel N.V. (NL) 1996-05-01 — — EP 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-20220089637-A1 STEROID COMPOUND, AND USE THEREOF AND PREPARATION METHOD THEREFOR CYP11B1, CYP4A11, CYP11B2 CYP19A1 31/4885CYP2C19 46/4885ESR1 1032/4885

“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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