SCHEMBL1422567

SCHEMBL1422567

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.69
▸ PGR P06401 5/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ LMNA P02545 4/20 0.55
▸ AR P10275 3/20 0.55
▸ SLC6A4 P31645 3/20 0.55
▸ SHBG P04278 3/20 0.55
▸ ABCB11 O95342 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ NR3C1 P04150 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ ESR1 P03372 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ SERPINA6 P08185 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ SLC22A1 O15245 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ NR3C2 P08235 1/20 0.54
▸ TSHR P16473 1/20 0.50

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
SCHEMBL16661457 1.00 CYP19A1 (0.69) CYP19A1PGRCYP3A4LMNAAR
SCHEMBL20851687 1.00 CYP19A1 (0.69) CYP19A1PGRCYP3A4LMNAAR
SCHEMBL3182567 1.00 CYP19A1 (0.69) CYP19A1PGRCYP3A4LMNAAR
SCHEMBL11629995 1.00 CYP19A1 (0.69) CYP19A1PGRCYP3A4LMNAAR
SCHEMBL22845080 1.00 CYP19A1 (0.69) CYP19A1PGRCYP3A4LMNAAR
SCHEMBL11629999 1.00 CYP19A1 (0.69) CYP19A1PGRCYP3A4LMNAAR
SCHEMBL11755439 0.90 CYP19A1 (0.66) CYP19A1PGRCYP3A4LMNAAR
SCHEMBL6832274 0.88 CYP19A1 (0.65) CYP19A1PGRCYP3A4LMNAAR
SCHEMBL4107677 0.86 CYP19A1 (0.57) CYP19A1PGRCYP3A4LMNAAR
SCHEMBL16937732 0.85 CYP19A1 (0.62) CYP19A1PGRCYP3A4LMNAAR

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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111593086-B Method for reducing impurities in ethyldiketone 11a hydroxylation process by using mixed solvent 湖北葛店人福药业有限责任公司 2023-05-05 — — CN claimed
EP-1504021-B1 PROCESS FOR DEHYDROGENATION OF AZAANDROSTANE COMPOUNDS RICHTER GEDEON VEGYESZET (HU) 2006-07-12 — — EP claimed
EP-1504021-A1 PROCESS FOR DEHYDROGENATION OF AZAANDROSTANE COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2005-02-09 — — EP claimed
US-6762302-B2 DEPROTONATION OF AZASTEROIDS USING CULTURES OF BIOCATALYSTS, OXIDOREDUCTASE ENZYMES, STABILIZERS, COMPLEXING AGENTS AND CHARGE TRANSFER COMPOUNDS, THEN INCUBATING GEDEON RICHTER, LTD. (HU) 2004-07-13 — — US claimed
WO-2003095472-A1 PROCESS FOR DEHYDROGENATION OF AZAANDROSTANE COMPOUNDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-11-20 — — WO claimed
US-20030215902-A1 Process for dehydrogenation of azaandros tane compounds RICHTER GEDEON VEGYESZETI GYAR RT. 2003-11-20 — — US claimed
US-5831104-A Steroid intermediate products and method of their production JENAPHARM GMBH (DE) 1998-11-03 — — US claimed
WO-1997023498-A1 18-METHYL 16-METHYLENE 19-NOR PREGNANE DERIVATIVES AS PROGESTINS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THE PREPARATION THEREOF Richter Gedeon Vegyészeti Gyár Rt. (HU) 1997-07-03 — — WO claimed
CN-119751531-A Preparation method of levorotatory ethyl sterenedione 浙江仙琚制药股份有限公司 2025-04-04 — — CN disclosed
US-11912738-B2 Neuroactive steroids and their methods of use SAGE THERAPEUTICS, INC. (US) 2024-02-27 — — US disclosed
US-11912738-B2 Neuroactive steroids and their methods of use SAGE THERAPEUTICS, INC. (US) 2024-02-27 — — US disclosed
CN-117402201-A Preparation methods of desogestrel, etogestrel and intermediates thereof, and intermediates 扬州奥锐特药业有限公司 2024-01-16 — — CN disclosed
US-20230322849-A1 NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. 2023-10-12 — — US disclosed
US-20230322849-A1 NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. 2023-10-12 — — US disclosed
US-3965138-A Steroid total synthesis process utilizing a cyanoalkyl A-ring precursor HOFFMANN-LA ROCHE INC. (US) 1976-06-22 — — US disclosed
US-3960896-A Aryl ketals of polycyclic oxo compounds and processes HOFFMANN-LA ROCHE INC. (US) 1976-06-01 — — US disclosed
US-3960895-A Aryl ketals of polycyclic oxo compounds and processes HOFFMANN-LA ROCHE INC. (US) 1976-06-01 — — US disclosed
US-3959322-A Synthesis of 13-alkyl-gon-4-ones Smith, Herchel (US) 1976-05-25 — — US disclosed
US-3950358-A ARYL KETALS OF 3,7-DIHYDROXY-11-OXO-DODEC-1-ENE HOFFMANN-LA ROCHE INC. (US) 1976-04-13 — — US disclosed
US-3948951-A Aryl ketals of 1-chloro-4-oxo-pentane HOFFMANN-LA ROCHE INC. (US) 1976-04-06 — — 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-20230322849-A1 NEUROACTIVE STEROIDS AND THEIR METHODS OF USE NR3C2, MC2R, NR3C1 CYP19A1 169/4885PGR 252/4885CYP3A4 929/4885
US-11912738-B2 Neuroactive steroids and their methods of use NR3C2, MC2R, NR3C1 CYP19A1 169/4885PGR 252/4885CYP3A4 929/4885

“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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