SCHEMBL24476344

SCHEMBL24476344

C#C[C@@]1(CC(=O)O)CCC2C3C(CC[C@@]21C)C1CCC(=O)C=C1C[C@H]3C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 10/20 0.55
▸ PGR P06401 10/20 0.55
▸ NR3C2 P08235 3/20 0.55
▸ CYP3A4 P08684 3/20 0.49
▸ ABCB11 O95342 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ NR3C1 P04150 2/20 0.49
▸ SHBG P04278 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ MAPT P10636 2/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ TBXA2R P21731 1/20 0.47

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
SCHEMBL24476246 0.91 AR (0.54) ARPGRNR3C2CYP3A4ABCB11
SCHEMBL24476335 0.88 AR (0.56) ARPGRNR3C2CYP3A4ABCB11
SCHEMBL24476299 0.85 CYP3A4 (0.68) ARPGRNR3C2CYP3A4ABCB11
SCHEMBL9340441 0.84 AR (0.59) ARPGRNR3C2CYP3A4ABCB11
SCHEMBL24476334 0.84 AR (0.59) ARPGRNR3C2CYP3A4ABCB11
SCHEMBL2835215 0.82 PGR (0.72) ARPGRNR3C2CYP3A4ABCB11
SCHEMBL6245967 0.82 PGR (0.72) ARPGRNR3C2CYP3A4ABCB11
SCHEMBL6873042 0.82 PGR (0.72) ARPGRNR3C2CYP3A4ABCB11
SCHEMBL23805202 0.82 PGR (0.72) ARPGRNR3C2CYP3A4ABCB11
SCHEMBL24476199 0.82 AR (0.63) ARPGRNR3C2CYP3A4ABCB11

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-20220169672-A1 COMPOUNDS FOR TARGETED THERAPIES OF CASTRATION RESISTANT PROSTATE CANCER PURDUE RESEARCH FOUNDATION 2022-06-02 — — 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-20220169672-A1 COMPOUNDS FOR TARGETED THERAPIES OF CASTRATION RESISTANT PROSTATE CANCER KLK3, AR, ACP3 AR 2/4885PGR 777/4885NR3C2 850/4885

“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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