Sugi Predict

Sugi Predict / Compounds / SCHEMBL4885697

SCHEMBL4885697

SCHEMBL4885697

CCC1C(CC)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.52
▸ LMNA P02545 8/20 0.52
▸ TSHR P16473 5/20 0.52
▸ MAPT P10636 5/20 0.52
▸ SHBG P04278 5/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ SERPINA6 P08185 4/20 0.52
▸ MAPK1 P28482 4/20 0.52
▸ NR3C1 P04150 4/20 0.52
▸ PGR P06401 4/20 0.52
▸ AR P10275 4/20 0.52
▸ GPBAR1 Q8TDU6 3/20 0.52
▸ SIGMAR1 Q99720 3/20 0.52
▸ CYP19A1 P11511 3/20 0.52
▸ SNCA P37840 2/20 0.52
▸ CACNA1C Q13936 2/20 0.52
▸ CYP51A1 Q16850 2/20 0.52
▸ OR51E2 Q9H255 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52

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
SCHEMBL3275157 0.91 CYP3A4 (0.55) CYP3A4LMNATSHRMAPTSHBG
SCHEMBL4876813 0.86 CYP3A4 (0.52) CYP3A4LMNATSHRMAPTSHBG
SCHEMBL5203283 0.85 CYP19A1 (0.50) CYP19A1
SCHEMBL27245491 0.83 SHBG (0.59) CYP3A4LMNATSHRMAPTSHBG
SCHEMBL4879090 0.83 SHBG (0.59) CYP3A4LMNATSHRMAPTSHBG
SCHEMBL8148335 0.82 CYP19A1 (0.53) CYP3A4LMNAMAPTHSD17B10SERPINA6
SCHEMBL29445509 0.81 SHBG (0.60) CYP3A4LMNATSHRMAPTSHBG
SCHEMBL7423109 0.79 CYP3A4 (0.65) CYP3A4LMNATSHRMAPTSHBG
SCHEMBL5200681 0.79 CYP3A4 (0.65) CYP3A4LMNATSHRMAPTSHBG
SCHEMBL4907204 0.79 PSEN1 (0.48) CYP3A4LMNATSHRMAPTSHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309712-B2 Synthesis of drospirenone in only eight steps; claimed intermediates; readily available raw materials; simple crystallization purification; no hazardous materials; yield RICHTER GEDEON NYRT. (HU) 2012-11-13 — — US claimed
US-20080194812-A1 Process for the Preparation of 17-Hydroxy-6Beta, 7Beta; 15Beta, 16Beta-Bismethylene- 17Alpha-Pregn-4-Ene-3-One-21-Carboxylic Acid Y-Lactone and Key Intermediates for this Process RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-08-14 — — US claimed
US-20030055274-A1 Processes for preparation of 9,11-epoxy steroids and intermediates useful therein G.D. SEARLE & COMPANY 2003-03-20 — — US disclosed
US-6147066-A Use of antimineralocorticoid compounds against drug withdrawal syndrome Roussel, Hoechst Marion (FR) 2000-11-14 — — 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-20080194812-A1 Process for the Preparation of 17-Hydroxy-6Beta, 7Beta; 15Beta, 16Beta-Bismethylene- 17Alpha-Pregn-4-Ene-3-One-21-Carboxylic Acid Y-Lactone and Key Intermediates for this Process CYP17A1, HSD17B7, HSD17B11 CYP3A4 55/4885LMNA 1403/4885TSHR 2431/4885
US-20030055274-A1 Processes for preparation of 9,11-epoxy steroids and intermediates useful therein CYP4A11, HSD11B1, DHCR7 CYP3A4 68/4885LMNA 939/4885TSHR 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.