SCHEMBL22069477

SCHEMBL22069477

C[C@]12CC[C@H](O)[C@H](O)C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.67
GPBAR1 Q8TDU6 4/20 0.62
LMNA P02545 3/20 0.62
CYP3A4 P08684 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
SHBG P04278 2/20 0.62
SERPINA6 P08185 2/20 0.62
AKR1B10 O60218 2/20 0.62
AKR1B1 P15121 2/20 0.62
MAPK1 P28482 1/20 0.62
HSD17B3 P37058 1/20 0.62
PMP22 Q01453 1/20 0.62
G6PD P11413 1/20 0.62
CYP2D6 P10635 1/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
CYP2C19 P33261 1/20 0.62
OR51E2 Q9H255 1/20 0.54
SRD5A2 P31213 1/20 0.53

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
SCHEMBL16654945 1.00 CYP19A1 (0.67) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL16654942 1.00 CYP19A1 (0.67) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL20725025 1.00 CYP19A1 (0.67) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL5694830 1.00 CYP19A1 (0.67) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL5694831 1.00 CYP19A1 (0.67) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL4585733 0.88 CYP19A1 (0.65) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL4585736 0.88 CYP19A1 (0.65) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL16407340 0.88 CYP19A1 (0.65) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL16407571 0.84 CYP19A1 (0.61) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL20725032 0.84 CYP19A1 (0.62) 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 4 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 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 CYP19A1 3/4885GPBAR1 32/4885LMNA 1783/4885

“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.