SCHEMBL16407571

SCHEMBL16407571

CC[C@H]1[C@H](O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.61
GPBAR1 Q8TDU6 4/20 0.57
LMNA P02545 3/20 0.57
CYP3A4 P08684 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
G6PD P11413 3/20 0.57
SHBG P04278 2/20 0.57
SERPINA6 P08185 2/20 0.57
HSD17B3 P37058 2/20 0.57
AKR1B10 O60218 2/20 0.57
AKR1B1 P15121 2/20 0.57
MAPK1 P28482 1/20 0.57
PMP22 Q01453 1/20 0.57
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
CYP2C19 P33261 1/20 0.57
SRD5A2 P31213 1/20 0.52
OR51E2 Q9H255 1/20 0.50

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
SCHEMBL20444117 0.90 CYP19A1 (0.58) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL4585733 0.86 CYP19A1 (0.65) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL4585736 0.86 CYP19A1 (0.65) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL16407340 0.86 CYP19A1 (0.65) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL5694831 0.84 CYP19A1 (0.67) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL16654945 0.84 CYP19A1 (0.67) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL20725025 0.84 CYP19A1 (0.67) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL22069477 0.84 CYP19A1 (0.67) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL5694830 0.84 CYP19A1 (0.67) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL16654942 0.84 CYP19A1 (0.67) CYP19A1GPBAR1LMNACYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3021852-B1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS INC (US) 2021-01-27 EP disclosed
US-20180215779-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2018-08-02 US disclosed
US-20160152658-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2016-06-02 US disclosed
US-20160152658-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2016-06-02 US disclosed
WO-2015010054-A2 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. (US) 2015-01-22 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 (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-20160152658-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF ADRA1B, AVPR1B, ADRA2B CYP19A1 123/4885GPBAR1 150/4885LMNA 3018/4885
US-20180215779-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF ADRA1B, AVPR1B, ADRA2B CYP19A1 117/4885GPBAR1 177/4885LMNA 3004/4885

“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.