SCHEMBL22069433

SCHEMBL22069433

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.61
ESR1 P03372 1/20 0.61
ESR2 Q92731 1/20 0.61
CYP19A1 P11511 5/20 0.60
LMNA P02545 3/20 0.58
GPBAR1 Q8TDU6 3/20 0.58
CYP3A4 P08684 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
SHBG P04278 2/20 0.58
SERPINA6 P08185 2/20 0.58
HSD17B10 Q99714 2/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.54
NR3C1 P04150 1/20 0.51
PGR P06401 1/20 0.51
NR3C2 P08235 1/20 0.51
MGAM O43451 1/20 0.51

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
SCHEMBL22100505 1.00 AR (0.61) ARESR1ESR2CYP19A1LMNA
SCHEMBL10404807 0.85 AR (0.60) ARESR1ESR2CYP19A1LMNA
SCHEMBL10403372 0.85 AR (0.60) ARESR1ESR2CYP19A1LMNA
SCHEMBL10403371 0.85 AR (0.60) ARESR1ESR2CYP19A1LMNA
SCHEMBL15874948 0.81 AR (0.64) ARESR1ESR2CYP19A1LMNA
SCHEMBL16225971 0.81 NR1I3 (0.59) ARESR1ESR2CYP19A1LMNA
SCHEMBL16225750 0.81 NR1I3 (0.59) ARESR1ESR2CYP19A1LMNA
SCHEMBL12478628 0.79 CYP17A1 (0.50) ARESR1ESR2LMNAGPBAR1
SCHEMBL5694830 0.77 CYP19A1 (0.67) CYP19A1LMNAGPBAR1CYP3A4CYP2C19
SCHEMBL22069477 0.77 CYP19A1 (0.67) CYP19A1LMNAGPBAR1CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220054501-A1 MEDICATION AGAINST ESTROGEN-RECEPTOR b (ER.beta) POSITIVE BREAST TUMOR DCIC BIOPHARMACEUTICAL LIMITED (HK) 2022-02-24 US claimed
EP-3860611-A1 MEDICATION AGAINST ESTROGEN-RECEPTOR SS (ERSS) POSITIVE BREAST TUMOR dcic Biopharmaceutical Limited (HK) 2021-08-11 EP claimed
WO-2020120739-A1 MEDICATION AGAINST ESTROGEN-RECEPTOR ß (ERß) POSITIVE BREAST TUMOR DCIC BIOPHARMACEUTICAL LIMITED (CN) 2020-06-18 WO claimed
EP-3666276-A1 MEDICATION AGAINST ESTROGEN-RECEPTOR BETA (ERBETA) POSITIVE BREAST TUMOR dcic Biopharmaceutical Limited (HK) 2020-06-17 EP claimed
US-20220054501-A1 MEDICATION AGAINST ESTROGEN-RECEPTOR b (ER.beta) POSITIVE BREAST TUMOR DCIC BIOPHARMACEUTICAL LIMITED (HK) 2022-02-24 US disclosed
EP-3860611-A1 MEDICATION AGAINST ESTROGEN-RECEPTOR SS (ERSS) POSITIVE BREAST TUMOR dcic Biopharmaceutical Limited (HK) 2021-08-11 EP disclosed
WO-2020120739-A1 MEDICATION AGAINST ESTROGEN-RECEPTOR ß (ERß) POSITIVE BREAST TUMOR DCIC BIOPHARMACEUTICAL LIMITED (CN) 2020-06-18 WO disclosed
EP-3666276-A1 MEDICATION AGAINST ESTROGEN-RECEPTOR BETA (ERBETA) POSITIVE BREAST TUMOR dcic Biopharmaceutical Limited (HK) 2020-06-17 EP 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 (1 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-20220054501-A1 MEDICATION AGAINST ESTROGEN-RECEPTOR b (ER.beta) POSITIVE BREAST TUMOR ESR1, GPER1, CYP19A1 AR 66/4885ESR1 1/4885ESR2 5/4885

“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.