SCHEMBL21215142

SCHEMBL21215142

C/C=C1/[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.50
▸ GABRB1 P18505 3/20 0.50
▸ GABRA2 P47869 3/20 0.50
▸ GABRB2 P47870 3/20 0.50
▸ GABRP O00591 2/20 0.50
▸ GABRD O14764 2/20 0.50
▸ GABRG2 P18507 2/20 0.50
▸ GABRB3 P28472 2/20 0.50
▸ GABRA5 P31644 2/20 0.50
▸ GABRA3 P34903 2/20 0.50
▸ GABRA4 P48169 2/20 0.50
▸ GABRE P78334 2/20 0.50
▸ GABRA6 Q16445 2/20 0.50
▸ GABRG1 Q8N1C3 2/20 0.50
▸ GABRG3 Q99928 2/20 0.50
▸ GABRQ Q9UN88 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B3 P37058 1/20 0.41

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
SCHEMBL19781926 0.85 GABRA1 (0.47) GABRA1GABRB1GABRA2GABRB2GABRP
SCHEMBL13327492 0.82 G6PD (0.59) MEN1KMT2AHSD17B3
SCHEMBL13642578 0.81 G6PD (0.46) MEN1KMT2AHSD17B3
SCHEMBL13642666 0.81 G6PD (0.46) MEN1KMT2AHSD17B3
SCHEMBL14570720 0.81 G6PD (0.46) MEN1KMT2AHSD17B3
SCHEMBL24481468 0.80 GABRA1 (0.46) GABRA1GABRB1GABRA2GABRB2GABRP
SCHEMBL3116098 0.78 GABRP (0.52) GABRA1GABRB1GABRA2GABRB2GABRP
SCHEMBL3115952 0.78 GABRP (0.52) GABRA1GABRB1GABRA2GABRB2GABRP
SCHEMBL19781928 0.78 GABRP (0.52) GABRA1GABRB1GABRA2GABRB2GABRP
SCHEMBL3115944 0.78 GABRP (0.52) GABRA1GABRB1GABRA2GABRB2GABRP

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-20230021308-A9 C7, C12, AND C16 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. 2023-01-19 — — US disclosed
US-20220002340-A1 C7, C12, AND C16 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS INC (US) 2022-01-06 — — US disclosed
US-20190233465-A1 C7, C12, AND C16 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. (US) 2019-08-01 — — 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 (3 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-20230021308-A9 C7, C12, AND C16 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE CNR1, CNR2, CYP21A2 GABRA1 26/4885GABRB1 34/4885GABRA2 40/4885
US-20190233465-A1 C7, C12, AND C16 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE CNR1, CNR2, ADRA1B GABRA1 30/4885GABRB1 39/4885GABRA2 42/4885
US-20220002340-A1 C7, C12, AND C16 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE CNR1, CNR2, CYP21A2 GABRA1 26/4885GABRB1 34/4885GABRA2 40/4885

“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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