SCHEMBL16188590

SCHEMBL16188590

C[C@H]1C[C@H]2C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 5/20 0.69
▸ SERPINA6 P08185 4/20 0.69
▸ SLC22A1 O15245 1/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ THRB P10828 1/20 0.69
▸ ESR2 Q92731 3/20 0.62
▸ ESR1 P03372 1/20 0.62
▸ PDK1 Q15118 2/20 0.60
▸ PDK2 Q15119 2/20 0.60
▸ PDK3 Q15120 2/20 0.60
▸ PDK4 Q16654 2/20 0.60
▸ CYP19A1 P11511 5/20 0.50
▸ AR P10275 5/20 0.50
▸ LMNA P02545 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ NR3C1 P04150 2/20 0.47
▸ PGR P06401 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ SNCA P37840 2/20 0.47

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
SCHEMBL517355 1.00 SHBG (0.69) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL16741266 1.00 SHBG (0.69) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL7615553 1.00 SHBG (0.69) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL16188696 1.00 SHBG (0.69) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL3816344 0.90 SERPINA6 (0.72) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL16741272 0.85 SERPINA6 (0.71) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL1711107 0.85 SHBG (0.68) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL7705296 0.85 SERPINA6 (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL1711002 0.85 SERPINA6 (0.68) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL12615684 0.84 SERPINA6 (0.64) SHBGSERPINA6SLC22A1ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4711377-A1 STEROID COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Shujing Biopharma Co., Ltd (CN) 2026-03-18 — — EP disclosed
US-11912737-B2 19-nor neuroactive steroids and methods of use thereof Sage Therpeutics, Inc. (US) 2024-02-27 — — US disclosed
US-11912737-B2 19-nor neuroactive steroids and methods of use thereof Sage Therpeutics, Inc. (US) 2024-02-27 — — US disclosed
EP-4144746-A1 NEUROACTIVE STEROIDS, COMPOSITIONS AND USES THEREOF Sage Therapeutics, Inc. (US) 2023-03-08 — — EP disclosed
US-11241446-B2 19-nor C3, 3-disubstituted C21-N-pyrazolyl steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2022-02-08 — — US disclosed
EP-3909966-A1 19-NOR C3,3-DISUBSTITUTED C21-N-PYRAZOLYL STEROID FOR USE IN THERAPY Sage Therapeutics, Inc. (US) 2021-11-17 — — EP disclosed
EP-3498725-B1 19-NOR C3,3-DISUBSTITUTED C21-N-PYRAZOLYL STEROID FOR USE IN THERAPY SAGE THERAPEUTICS INC (US) 2021-06-09 — — EP disclosed
US-20210139531-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2021-05-13 — — US disclosed
US-20210061850-A1 NEUROACTIVE STERIODS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2021-03-04 — — US disclosed
US-20210061849-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2021-03-04 — — US disclosed
US-9512165-B2 19-nor C3, 3-disubstituted C21-N-pyrazolyl steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2016-12-06 — — US disclosed
US-9512165-B2 19-nor C3, 3-disubstituted C21-N-pyrazolyl steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2016-12-06 — — US disclosed
US-20160108080-A1 19-NOR C3, 3-DISUBSTITUTED C21-N-PYRAZOLYL STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2016-04-21 — — US disclosed
US-20160108080-A1 19-NOR C3, 3-DISUBSTITUTED C21-N-PYRAZOLYL STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2016-04-21 — — US disclosed
US-20160068563-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2016-03-10 — — US disclosed
US-20160068563-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2016-03-10 — — US disclosed
WO-2014169833-A9 19-NOR C3,3-DISUBSTITUTED C21-N-PYRAZOLYL STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2016-03-03 — — WO disclosed
WO-2015180679-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. (US) 2015-12-03 — — WO disclosed
WO-2014169836-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2014-10-23 — — WO disclosed
WO-2014169833-A1 19-NOR C3,3-DISUBSTITUTED C21-N-PYRAZOLYL STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2014-10-23 — — 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 (7 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-20160108080-A1 19-NOR C3, 3-DISUBSTITUTED C21-N-PYRAZOLYL STEROIDS AND METHODS OF USE THEREOF NR3C2, CYP11B1, NR3C1 SHBG 744/4885SERPINA6 931/4885SLC22A1 1200/4885
US-20210061850-A1 NEUROACTIVE STERIODS, COMPOSITIONS, AND USES THEREOF HSD3B1, HTR3B, HSD3B2 SHBG 99/4885SERPINA6 677/4885SLC22A1 1149/4885
US-11912737-B2 19-nor neuroactive steroids and methods of use thereof NR3C2, HSD3B1, HSD3B2 SHBG 126/4885SERPINA6 407/4885SLC22A1 549/4885
US-11241446-B2 19-nor C3, 3-disubstituted C21-N-pyrazolyl steroids and methods of use thereof NR3C2, NR3C1, CYP11B1 SHBG 672/4885SERPINA6 1023/4885SLC22A1 1119/4885
US-20210139531-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF NR3C2, HSD3B1, HSD3B2 SHBG 126/4885SERPINA6 407/4885SLC22A1 549/4885
US-20160068563-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF NR3C2, HSD3B1, HSD3B2 SHBG 126/4885SERPINA6 407/4885SLC22A1 549/4885
US-20210061849-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CNR1, NR3C2, CNR2 SHBG 208/4885SERPINA6 560/4885SLC22A1 1055/4885

“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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