SCHEMBL21682142

SCHEMBL21682142

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.35
AR P10275 2/20 0.35
CYP3A4 P08684 2/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
SERPINA6 P08185 1/20 0.35
NR3C2 P08235 1/20 0.35
CYP19A1 P11511 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MGAM O43451 1/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDK1 Q15118 2/20 0.31
PDK2 Q15119 2/20 0.31
PDK3 Q15120 2/20 0.31
PDK4 Q16654 2/20 0.31

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
SCHEMBL5345898 0.69
SCHEMBL6890184 0.68 ALDH1A1 (0.36) ARCYP3A4HSD17B10ALDH1A1LMNA
SCHEMBL21297487 0.66 ALDH1A1 (0.31) CYP3A4ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL16475536 0.65 ALDH1A1 (0.36) CYP3A4HSD17B10MGAMALDH1A1LMNA
SCHEMBL22399813 0.64 ALDH1A1 (0.33) CYP3A4ALDH1A1LMNA
SCHEMBL20671031 0.64 ALDH1A1 (0.39) CYP3A4HSD17B10ALDH1A1LMNATSHR
SCHEMBL14627194 0.64 SHBG (0.32) SHBG
SCHEMBL17964310 0.63 ALDH1A1 (0.36) CYP3A4HSD17B10ALDH1A1LMNATSHR
SCHEMBL19768601 0.63 ALDH1A1 (0.36) CYP3A4HSD17B10ALDH1A1LMNATSHR
SCHEMBL17973311 0.63 ALDH1A1 (0.36) CYP3A4HSD17B10ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12173026-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2024-12-24 US disclosed
CN-112805006-B PRMT5 inhibitors 默沙东有限责任公司 2024-09-24 CN disclosed
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 US disclosed
US-20220363707-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-11-17 US disclosed
WO-2021126999-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
EP-3833355-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-16 EP disclosed
WO-2020033288-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 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-20220363707-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 SHBG 2700/4885AR 4004/4885CYP3A4 1162/4885
US-12173026-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT3 SHBG 2700/4885AR 4004/4885CYP3A4 1162/4885

“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.