SCHEMBL15920543

SCHEMBL15920543

CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINA6 P08185 3/20 1.00
▸ CYP3A4 P08684 6/20 0.72
▸ SMN1; SMN2 Q16637 6/20 0.72
▸ LMNA P02545 5/20 0.72
▸ ALDH1A1 P00352 5/20 0.72
▸ TSHR P16473 3/20 0.72
▸ NR3C2 P08235 3/20 0.72
▸ CYP2C9 P11712 2/20 0.72
▸ HIF1A Q16665 2/20 0.72
▸ MAPT P10636 2/20 0.72
▸ MAPK1 P28482 2/20 0.72
▸ NR3C1 P04150 2/20 0.72
▸ SHBG P04278 2/20 0.72
▸ PMP22 Q01453 2/20 0.72
▸ CYP2C19 P33261 1/20 0.72
▸ KDM4E B2RXH2 1/20 0.72
▸ MEN1 O00255 1/20 0.72
▸ SLC22A2 O15244 1/20 0.72
▸ SLC22A1 O15245 1/20 0.72
▸ NR1I2 O75469 1/20 0.72

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
SCHEMBL14420894 1.00 SERPINA6 (1.00) SERPINA6CYP3A4SMN1; SMN2LMNAALDH1A1
SCHEMBL668966 1.00 SERPINA6 (1.00) SERPINA6CYP3A4SMN1; SMN2LMNAALDH1A1
SCHEMBL14525642 1.00 SERPINA6 (1.00) SERPINA6CYP3A4SMN1; SMN2LMNAALDH1A1
SCHEMBL15904593 1.00 SERPINA6 (1.00) SERPINA6CYP3A4SMN1; SMN2LMNAALDH1A1
SCHEMBL9348234 0.92 SERPINA6 (0.85) SERPINA6CYP3A4SMN1; SMN2LMNAALDH1A1
SCHEMBL18927106 0.92 SERPINA6 (0.85) SERPINA6CYP3A4SMN1; SMN2LMNAALDH1A1
SCHEMBL9348241 0.92 SERPINA6 (0.85) SERPINA6CYP3A4SMN1; SMN2LMNAALDH1A1
SCHEMBL6347180 0.91 SERPINA6 (0.84) SERPINA6CYP3A4SMN1; SMN2LMNAALDH1A1
SCHEMBL31095098 0.90 SERPINA6 (0.82) SERPINA6CYP3A4SMN1; SMN2LMNAALDH1A1
SCHEMBL5497592 0.89 SERPINA6 (0.80) SERPINA6CYP3A4SMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542298-B2 Hydroxysteroid compounds, their intermediates, process of preparation, composition and uses thereof EPIRIUM BIO INC. (US) 2023-01-03 — — US disclosed
CN-112552364-A Novel 11 beta-hydroxysteroid compounds for use in mitochondrial biogenesis and diseases associated with mitochondrial dysfunction or depletion 司菲埃拉制药私人有限公司 2021-03-26 — — CN disclosed
EP-3795578-A2 HYDROXYSTEROID COMPOUNDS, THEIR INTERMEDIATES, PROCESS OF PREPARATION, COMPOSITION AND USES THEREOF Sphaera Pharma Pvt. Ltd. (IN) 2021-03-24 — — EP disclosed
US-20210024572-A1 HYDROXYSTEROID COMPOUNDS, THEIR INTERMEDIATES, PROCESS OF PREPARATION, COMPOSITION AND USES THEREOF EPIRIUM BIO INC. 2021-01-28 — — US disclosed
EP-3171855-B1 11.BETA.-HYDROXYSTEROID-4-AZA-COMPOUNDS, COMPOSITIONS AND USES THEREOF SPHAERA PHARMA PRIVATE LTD (IN) 2020-08-26 — — EP disclosed
EP-3309166-A2 11BETA-HYDROXY-STEROIDS FOR USE IN MITOCHONDRIA BIOGENESIS AND DISEASES ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION OR DEPLETION Sphaera Pharma Pvt. Ltd. (IN) 2018-04-18 — — EP disclosed
EP-3309166-A2 11BETA-HYDROXY-STEROIDS FOR USE IN MITOCHONDRIA BIOGENESIS AND DISEASES ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION OR DEPLETION Sphaera Pharma Pvt. Ltd. (IN) 2018-04-18 — — EP disclosed
US-20170158730-A1 HYDROXYSTEROID COMPOUNDS, THEIR INTERMEDIATES, PROCESS OF PREPARATION, COMPOSITION AND USES THEREOF SPHAERA PHARMA PVT. LTD. (IN) 2017-06-08 — — US disclosed
US-20170158730-A1 HYDROXYSTEROID COMPOUNDS, THEIR INTERMEDIATES, PROCESS OF PREPARATION, COMPOSITION AND USES THEREOF SPHAERA PHARMA PVT. LTD. (IN) 2017-06-08 — — US disclosed
US-20150376225-A1 NOVEL COMPOUNDS OF 11BETA-HYDROXY-STEROIDS FOR USE IN MITOCHONDRIA BIOGENESIS AND DISEASES ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION OR DEPLETION EPIRIUM BIO INC. 2015-12-31 — — US disclosed
US-20150376225-A1 NOVEL COMPOUNDS OF 11BETA-HYDROXY-STEROIDS FOR USE IN MITOCHONDRIA BIOGENESIS AND DISEASES ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION OR DEPLETION EPIRIUM BIO INC. 2015-12-31 — — US disclosed
US-20150376225-A1 NOVEL COMPOUNDS OF 11BETA-HYDROXY-STEROIDS FOR USE IN MITOCHONDRIA BIOGENESIS AND DISEASES ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION OR DEPLETION EPIRIUM BIO INC. 2015-12-31 — — US disclosed
WO-2014115167-A2 NOVEL COMPOUNDS OF 11BETA-HYDROXY-STEROIDS FOR USE IN MITOCHONDRIA BIOGENESIS AND DISEASES ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION OR DEPLETION SPHAERA PHARMA PVT. LTD. (IN) 2014-07-31 — — WO 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 (4 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-11542298-B2 Hydroxysteroid compounds, their intermediates, process of preparation, composition and uses thereof HSD17B7, HSD11B1, HSD3B1 SERPINA6 139/4885CYP3A4 70/4885SMN1; SMN2 4666/4885
US-20170158730-A1 HYDROXYSTEROID COMPOUNDS, THEIR INTERMEDIATES, PROCESS OF PREPARATION, COMPOSITION AND USES THEREOF HSD17B7, HSD11B1, HSD3B1 SERPINA6 139/4885CYP3A4 70/4885SMN1; SMN2 4666/4885
US-20150376225-A1 NOVEL COMPOUNDS OF 11BETA-HYDROXY-STEROIDS FOR USE IN MITOCHONDRIA BIOGENESIS AND DISEASES ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION OR DEPLETION CYP27A1, CYP27B1, TFAM SERPINA6 756/4885CYP3A4 3934/4885SMN1; SMN2 623/4885
US-20210024572-A1 HYDROXYSTEROID COMPOUNDS, THEIR INTERMEDIATES, PROCESS OF PREPARATION, COMPOSITION AND USES THEREOF HSD17B7, HSD11B1, HSD3B1 SERPINA6 139/4885CYP3A4 70/4885SMN1; SMN2 4666/4885

“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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