SCHEMBL22749094

SCHEMBL22749094

CC(=O)[C@@]1(OC(=O)CCC2CC2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.77
▸ CYP3A4 P08684 4/20 0.77
▸ NR3C1 P04150 4/20 0.77
▸ PGR P06401 3/20 0.77
▸ AR P10275 3/20 0.77
▸ NPSR1 Q6W5P4 2/20 0.77
▸ SMN1; SMN2 Q16637 2/20 0.77
▸ SHBG P04278 2/20 0.77
▸ ALDH1A1 P00352 2/20 0.77
▸ ABCC4 O15439 1/20 0.77
▸ ABCB11 O95342 1/20 0.77
▸ ESR1 P03372 1/20 0.77
▸ CHRM2 P08172 1/20 0.77
▸ NR3C2 P08235 1/20 0.77
▸ CHRM1 P11229 1/20 0.77
▸ HRH2 P25021 1/20 0.77
▸ AKR1C3 P42330 1/20 0.77
▸ AKR1C2 P52895 1/20 0.77
▸ AKR1C1 Q04828 1/20 0.77
▸ ESR2 Q92731 1/20 0.77

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
SCHEMBL22761980 1.00 LMNA (0.77) LMNACYP3A4NR3C1PGRAR
SCHEMBL11511438 0.90 LMNA (0.78) LMNACYP3A4NR3C1PGRAR
SCHEMBL11511435 0.90 LMNA (0.78) LMNACYP3A4NR3C1PGRAR
SCHEMBL27048069 0.89 LMNA (0.82) LMNACYP3A4NR3C1PGRAR
SCHEMBL3973882 0.89 LMNA (0.75) LMNACYP3A4NR3C1PGRAR
SCHEMBL11511329 0.88 CYP3A4 (0.81) LMNACYP3A4NR3C1PGRAR
SCHEMBL11511334 0.88 CYP3A4 (0.81) LMNACYP3A4NR3C1PGRAR
SCHEMBL22749092 0.88 LMNA (0.77) LMNACYP3A4NR3C1PGRAR
Medroxyprogesterone Acetate SCHEMBL3892232 0.87 NR3C1 (1.00) LMNACYP3A4NR3C1PGRAR
Medroxyprogesterone Acetate SCHEMBL22761990 0.87 NR3C1 (1.00) LMNACYP3A4NR3C1PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025940-A1 NOVEL ESTERS OF MEDROXYPROGESTERONE HAFEEZ KALAK ABDUL (IN) 2024-01-25 — — US disclosed
US-20240025940-A1 NOVEL ESTERS OF MEDROXYPROGESTERONE HAFEEZ KALAK ABDUL (IN) 2024-01-25 — — US disclosed
US-20240025940-A1 NOVEL ESTERS OF MEDROXYPROGESTERONE HAFEEZ KALAK ABDUL (IN) 2024-01-25 — — US disclosed
WO-2020245641-A1 NOVEL ESTERS OF MEDROXYPROGESTERONE HAFEEZ KALAK ABDUL (IN) 2020-12-10 — — WO disclosed
WO-2020245641-A1 NOVEL ESTERS OF MEDROXYPROGESTERONE HAFEEZ KALAK ABDUL (IN) 2020-12-10 — — 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 (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-20240025940-A1 NOVEL ESTERS OF MEDROXYPROGESTERONE HSD17B11, CYP19A1, CYP17A1 LMNA 4253/4885CYP3A4 64/4885NR3C1 90/4885

“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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