SCHEMBL17379915

SCHEMBL17379915

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 2/20 0.56
▸ GPBAR1 Q8TDU6 2/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ USP2 O75604 3/20 0.55
▸ NPC1L1 Q9UHC9 4/20 0.48
▸ NR1H3 Q13133 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ SLCO1B3 Q9NPD5 1/20 0.47
▸ SLCO1B1 Q9Y6L6 1/20 0.47
▸ POLA1 P09884 1/20 0.46
▸ TOP2A P11388 1/20 0.46
▸ TOP2B Q02880 1/20 0.46

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
SCHEMBL25334071 0.95 VDR (0.51) VDRGPBAR1CYP2C9HIF1AUSP2
SCHEMBL25334068 0.95 VDR (0.51) VDRGPBAR1CYP2C9HIF1AUSP2
SCHEMBL19293667 0.88 GPBAR1 (0.54) VDRGPBAR1CYP2C9HIF1AUSP2
SCHEMBL21814362 0.88 NPC1L1 (0.62) VDRUSP2NPC1L1MEN1KMT2A
SCHEMBL21814361 0.88 NPC1L1 (0.62) VDRUSP2NPC1L1MEN1KMT2A
SCHEMBL19293422 0.88 GPBAR1 (0.58) VDRGPBAR1CYP2C9HIF1AUSP2
SCHEMBL19293662 0.86 VDR (0.54) VDRGPBAR1CYP2C9HIF1AUSP2
SCHEMBL25337296 0.84 NPC1L1 (0.64) VDRGPBAR1CYP2C9HIF1AUSP2
SCHEMBL26333487 0.83 VDR (0.53) VDRGPBAR1CYP2C9HIF1AUSP2
SCHEMBL21561555 0.83 VDR (0.58) VDRGPBAR1CYP2C9HIF1AUSP2

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-20230348526-A1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-11-02 — — US disclosed
US-20170247405-A1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2017-08-31 — — US disclosed
WO-2015195967-A1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2015-12-23 — — 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 (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-20230348526-A1 OXYSTEROLS AND METHODS OF USE THEREOF NR1H3, NR1H2, HSD17B7 VDR 153/4885GPBAR1 114/4885CYP2C9 137/4885
US-20170247405-A1 OXYSTEROLS AND METHODS OF USE THEREOF NR1H3, NR1H2, HSD17B7 VDR 150/4885GPBAR1 116/4885CYP2C9 136/4885

“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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