SCHEMBL3404879

SCHEMBL3404879

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 11/20 0.77
▸ CYP3A4 P08684 5/20 0.77
▸ TSHR P16473 2/20 0.77
▸ CYP2C9 P11712 2/20 0.77
▸ HSD17B10 Q99714 2/20 0.77
▸ ALDH1A1 P00352 1/20 0.77
▸ PGR P06401 4/20 0.74
▸ AR P10275 2/20 0.74
▸ LMNA P02545 2/20 0.74
▸ SERPINA6 P08185 1/20 0.74
▸ CHRM1 P11229 1/20 0.74
▸ F2 P00734 1/20 0.71
▸ KMT2A Q03164 1/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ PMP22 Q01453 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ NR3C1 P04150 3/20 0.57
▸ POLB P06746 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ MAPT P10636 1/20 0.57

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
SCHEMBL9267453 1.00 HIF1A (0.77) HIF1ACYP3A4TSHRCYP2C9HSD17B10
SCHEMBL13103466 1.00 HIF1A (0.77) HIF1ACYP3A4TSHRCYP2C9HSD17B10
SCHEMBL6566408 1.00 HIF1A (0.77) HIF1ACYP3A4TSHRCYP2C9HSD17B10
SCHEMBL13152085 1.00 HIF1A (0.77) HIF1ACYP3A4TSHRCYP2C9HSD17B10
SCHEMBL10409155 0.92 HIF1A (0.72) HIF1ACYP3A4TSHRCYP2C9HSD17B10
SCHEMBL11042400 0.92 HIF1A (0.72) HIF1ACYP3A4TSHRCYP2C9HSD17B10
SCHEMBL11042389 0.92 HIF1A (0.72) HIF1ACYP3A4TSHRCYP2C9HSD17B10
SCHEMBL10409156 0.92 HIF1A (0.72) HIF1ACYP3A4TSHRCYP2C9HSD17B10
SCHEMBL10409972 0.91 HIF1A (0.71) HIF1ACYP3A4TSHRCYP2C9HSD17B10
SCHEMBL10599491 0.91 HIF1A (0.73) HIF1ACYP3A4TSHRCYP2C9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436902-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1995-06-28 — — EP claimed
US-5426198-A Contacting steroid in solution with chromium ion, hydrogen radical source, reducing agent THE UPJOHN COMPANY (US) 1995-06-20 — — US claimed
EP-0374185-B1 IMPROVED 9$g(a)-DEHALOGENATION PROCESS THE UPJOHN COMPANY (US) 1993-02-10 — — EP claimed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 — — EP claimed
US-20100256105-A1 NOVEL COMPOUNDS ASTRAZENECA R&D 2010-10-07 — — US disclosed
US-6828120-B2 Preparation of 11 beta ,17 alpha ,21- trihydroxy-6 alpha -methylpregna-1,4-diene-3,20-dione 21-acetate; obtain chemical intermediates, incubate reaction mix and enzymes, recover product PHARMACIA AND UPJOHN COMPANY 2004-12-07 — — US disclosed
EP-1399463-A1 PROCESS TO PREPARE 11$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
WO-2001004342-A1 PROCESS TO PREPARE EXEMESTANE PHARMACIA & UPJOHN COMPANY (US) 2001-01-18 — — WO disclosed
US-5426198-A Contacting steroid in solution with chromium ion, hydrogen radical source, reducing agent THE UPJOHN COMPANY (US) 1995-06-20 — — US disclosed
EP-0374185-B1 IMPROVED 9$g(a)-DEHALOGENATION PROCESS THE UPJOHN COMPANY (US) 1993-02-10 — — EP disclosed
US-4918065-A ANTIINFLAMMATORY AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1990-04-17 — — US disclosed
US-4912098-A Antiinflammatory 6 alpha-methylhydrocortisones SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-27 — — US disclosed
WO-1989001482-A1 IMPROVED 9alpha-DEHALOGENATION PROCESS THE UPJOHN COMPANY (US) 1989-02-23 — — WO disclosed
EP-0186948-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF 17ALPHA-HYDROXYPROGESTERONES AND CORTICOIDS FROM AN ENOL STEROID THE UPJOHN COMPANY (US) 1989-01-25 — — EP disclosed
US-4613463-A Process and intermediates for the preparation of 17 alphahydroxyprogesterones and corticoids from an enol steroid THE UPJOHN COMPANY (US) 1986-09-23 — — US disclosed
EP-0098568-A2 Corticoids-containing preparation for topical application SCHERING AKTIENGESELLSCHAFT (DE) 1984-01-18 — — EP disclosed
EP-0098566-A2 Corticoids-containing preparation for topical application SCHERING AKTIENGESELLSCHAFT (DE) 1984-01-18 — — EP disclosed
US-4330541-A ANTIINFLAMMATORY AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1982-05-18 — — 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-20100256105-A1 NOVEL COMPOUNDS F12, C1R, CXCR4 HIF1A 2414/4885CYP3A4 101/4885TSHR 450/4885
US-20030044885-A1 Process to prepare 11beta, 17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate CYP17A1, CYP51A1, HSD17B11 HIF1A 584/4885CYP3A4 86/4885TSHR 3016/4885

“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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