SCHEMBL6566545

SCHEMBL6566545

CC(=O)[C@@]1(O)C(C)C[C@H]2[C@@H]3CC(F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 11/20 0.61
▸ LMNA P02545 3/20 0.59
▸ NR3C1 P04150 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ MAPT P10636 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ AR P10275 3/20 0.59
▸ SERPINA6 P08185 2/20 0.56
▸ PGR P06401 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ SHBG P04278 2/20 0.53
▸ ABCC4 O15439 1/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ ESR1 P03372 1/20 0.53
▸ CHRM2 P08172 1/20 0.53
▸ NR3C2 P08235 1/20 0.53
▸ CHRM1 P11229 1/20 0.53

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
SCHEMBL6566539 1.00 CYP19A1 (0.61) CYP19A1LMNANR3C1MEN1KMT2A
SCHEMBL11512241 0.90 LMNA (0.74) CYP19A1LMNANR3C1MEN1KMT2A
SCHEMBL11512237 0.90 LMNA (0.74) CYP19A1LMNANR3C1MEN1KMT2A
SCHEMBL11600212 0.89 CYP19A1 (0.58) CYP19A1LMNANR3C1MEN1KMT2A
SCHEMBL11600208 0.89 CYP19A1 (0.58) CYP19A1LMNANR3C1MEN1KMT2A
SCHEMBL11201705 0.89 CYP19A1 (0.58) CYP19A1LMNANR3C1MEN1KMT2A
SCHEMBL11125309 0.88 CYP19A1 (0.57) CYP19A1LMNANR3C1MEN1KMT2A
SCHEMBL11125312 0.88 CYP19A1 (0.57) CYP19A1LMNANR3C1MEN1KMT2A
SCHEMBL11510735 0.84 LMNA (0.78) CYP19A1LMNANR3C1MEN1KMT2A
SCHEMBL11510737 0.84 LMNA (0.78) CYP19A1LMNANR3C1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276393-B1 PROCESS FOR THE PREPARATION OF 6-ALPHA, 9-ALPHA-DIFLUORO-11-BETA-17-ALPHA-DIHYDROXY-16-ALPHA-METHYL-PREGN-4-ENE-3,20-DIONE AND ITS DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1992-03-04 — — EP claimed
EP-0276393-A2 Process for the preparation of 6-alpha, 9-alpha-difluoro-11-beta-17-alpha-dihydroxy-16-alpha-methyl-pregn-4-ene-3,20-dione and its derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1988-08-03 — — EP claimed
US-6828120-B2 Preparation of 11 beta ,17 alpha ,21- trihydroxy-6 alpha -methylpregna-1,4-diene-3,20-dione 21-acetate; obtain chemical intermediates, incubate reaction mix and enzymes, recover product PHARMACIA AND UPJOHN COMPANY 2004-12-07 — — US disclosed
EP-1399463-A1 PROCESS TO PREPARE 11$g(b),17$g(a),21-TRIHYDROXY-6$g(a)-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE PHARMACIA & UPJOHN COMPANY (US) 2004-03-24 — — EP disclosed
US-20030044885-A1 Process to prepare 11beta, 17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate CRIA, INC. 2003-03-06 — — US disclosed
WO-2002102826-A1 PROCESS TO PREPARE 11β,17α,21-TRIHYDROXY-6α-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE PHARMACIA & UPJOHN COMPANY (US) 2002-12-27 — — WO disclosed
EP-0276393-B1 PROCESS FOR THE PREPARATION OF 6-ALPHA, 9-ALPHA-DIFLUORO-11-BETA-17-ALPHA-DIHYDROXY-16-ALPHA-METHYL-PREGN-4-ENE-3,20-DIONE AND ITS DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1992-03-04 — — EP disclosed
US-4898693-A Process for production of 6α,9α-difluoro-11β,17α-dihydroxy-16α-methyl-4-pregnene-3,20-dione and its derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1990-02-06 — — US disclosed
EP-0276393-A2 Process for the preparation of 6-alpha, 9-alpha-difluoro-11-beta-17-alpha-dihydroxy-16-alpha-methyl-pregn-4-ene-3,20-dione and its derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1988-08-03 — — 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-20030044885-A1 Process to prepare 11beta, 17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate CYP17A1, CYP51A1, HSD17B11 CYP19A1 5/4885LMNA 1301/4885NR3C1 103/4885

“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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