Sugi Predict

Sugi Predict / Compounds / SCHEMBL4885690

SCHEMBL4885690

SCHEMBL4885690

C=C1C(=C)[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 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.55
▸ LMNA P02545 7/20 0.55
▸ TSHR P16473 5/20 0.55
▸ MAPT P10636 5/20 0.55
▸ SHBG P04278 5/20 0.55
▸ MAPK1 P28482 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ SERPINA6 P08185 4/20 0.55
▸ NR3C1 P04150 4/20 0.55
▸ PGR P06401 4/20 0.55
▸ AR P10275 4/20 0.55
▸ CYP2C9 P11712 3/20 0.55
▸ GPBAR1 Q8TDU6 3/20 0.55
▸ SIGMAR1 Q99720 3/20 0.55
▸ HIF1A Q16665 2/20 0.55
▸ ABCB11 O95342 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ NR1I2 O75469 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55

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
SCHEMBL7236930 1.00 CYP3A4 (0.55) CYP3A4LMNATSHRMAPTSHBG
SCHEMBL10957754 0.99 CYP3A4 (0.54) CYP3A4LMNATSHRMAPTSHBG
Potassium Ion SCHEMBL10957761 0.90 CYP3A4 (0.53) CYP3A4LMNATSHRMAPTSHBG
SCHEMBL3275154 0.90 LMNA (0.53) CYP3A4LMNATSHRMAPTSHBG
SCHEMBL4876809 0.86 CYP3A4 (0.55) CYP3A4LMNATSHRMAPTSHBG
SCHEMBL7280550 0.85 CYP3A4 (0.52) CYP3A4LMNATSHRMAPTSHBG
SCHEMBL5203276 0.84 CYP19A1 (0.51) CYP19A1
SCHEMBL6840982 0.84 CYP3A4 (0.55) CYP3A4LMNATSHRMAPTSHBG
SCHEMBL6840979 0.84 CYP3A4 (0.55) CYP3A4LMNATSHRMAPTSHBG
SCHEMBL8148330 0.82 CYP19A1 (0.53) CYP3A4LMNAMAPTALDH1A1NR3C1

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 3 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-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 (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-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

“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.