SCHEMBL25594418

SCHEMBL25594418

C#C[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.76
▸ AR P10275 6/20 0.76
▸ LMNA P02545 5/20 0.76
▸ CYP3A4 P08684 5/20 0.76
▸ SLC6A4 P31645 5/20 0.76
▸ ESR1 P03372 4/20 0.76
▸ ABCB11 O95342 4/20 0.76
▸ NR3C1 P04150 4/20 0.76
▸ MEN1 O00255 3/20 0.76
▸ KMT2A Q03164 3/20 0.76
▸ SHBG P04278 3/20 0.76
▸ CYP2C19 P33261 3/20 0.76
▸ POLB P06746 1/20 0.76
▸ NR3C2 P08235 1/20 0.62
▸ OPRM1 P35372 2/20 0.61
▸ TSHR P16473 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ ADRA2A P08913 1/20 0.61
▸ NR1I2 O75469 2/20 0.56

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
SCHEMBL14191198 1.00 PGR (0.76) PGRARLMNACYP3A4SLC6A4
SCHEMBL4107420 0.89 PGR (0.66) PGRARLMNACYP3A4SLC6A4
SCHEMBL13473537 0.87 PGR (0.76) PGRARLMNACYP3A4SLC6A4
Norgestrel SCHEMBL4319113 0.86 PGR (1.00) PGRARLMNACYP3A4SLC6A4
Levonorgestrel SCHEMBL22364344 0.86 PGR (1.00) PGRARLMNACYP3A4SLC6A4
Levonorgestrel SCHEMBL691861 0.86 PGR (1.00) PGRARLMNACYP3A4SLC6A4
Levonorgestrel SCHEMBL20927506 0.86 PGR (1.00) PGRARLMNACYP3A4SLC6A4
Levonorgestrel SCHEMBL21741985 0.86 PGR (1.00) PGRARLMNACYP3A4SLC6A4
Levonorgestrel SCHEMBL27597 0.86 PGR (1.00) PGRARLMNACYP3A4SLC6A4
Levonorgestrel SCHEMBL3916570 0.86 PGR (1.00) PGRARLMNACYP3A4SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230172947-A1 METHODS AND COMPOSITIONS FOR TREATING ENDOMETRIAL CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-08 — — US 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-20230172947-A1 METHODS AND COMPOSITIONS FOR TREATING ENDOMETRIAL CANCER HSD17B11, CYP19A1, NR5A1 PGR 5/4885AR 91/4885LMNA 579/4885

“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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