SCHEMBL6704985

SCHEMBL6704985

CC(C)CCC[C@@H](C)[C@H]1C[C@H](O)[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CRYAB P02511 2/20 0.48
▸ CRYAA P02489 1/20 0.48
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CDC25A P30304 2/20 0.42
▸ CDC25B P30305 2/20 0.42
▸ HMGCR P04035 2/20 0.42
▸ EBP Q15125 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ PTGES O14684 2/20 0.38
▸ SRD5A1 P18405 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38

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
SCHEMBL7706905 0.94 CRYAB (0.48) CRYABCRYAAUSP2ALDH1A1LMNA
SCHEMBL7710063 0.87 USP2 (0.62) CRYABCRYAAUSP2ALDH1A1LMNA
SCHEMBL9332046 0.84 CRYAB (0.48) CRYABCRYAAUSP2ALDH1A1LMNA
SCHEMBL2510047 0.83 CDC25A (0.53) CRYABCRYAAUSP2ALDH1A1LMNA
SCHEMBL6406909 0.83 CDC25A (0.53) CRYABCRYAAUSP2ALDH1A1LMNA
SCHEMBL23457921 0.83 CDC25A (0.53) CRYABCRYAAUSP2ALDH1A1LMNA
SCHEMBL25035253 0.83 CDC25A (0.53) CRYABCRYAAUSP2ALDH1A1LMNA
SCHEMBL1955815 0.83 CDC25A (0.53) CRYABCRYAAUSP2ALDH1A1LMNA
SCHEMBL13770890 0.83 CDC25A (0.53) CRYABCRYAAUSP2ALDH1A1LMNA
SCHEMBL9331755 0.81 CRYAB (0.47) CRYABCRYAAUSP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040048838-A1 Meiosis regulating compounds GRONVALD FREDERIK CHRISTIAN (DK) 2004-03-11 — — US disclosed
US-6645953-B2 Sterol derivative compounds, structurally related to natural compounds which can be extracted from bull testes and from human follicular fluid, for regulating meiosis in oocytes and in male germ cells; use in treating infertility, NOVO NORDISK A/S (DK) 2003-11-11 — — US disclosed
US-20020013302-A1 Meiosis regulating compounds NOVO NORDISK A/S (DK) 2002-01-31 — — 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 (2 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-20020013302-A1 Meiosis regulating compounds CYP11A1, NR5A1, MNS1 CRYAB 1240/4885CRYAA 2434/4885USP2 4073/4885
US-20040048838-A1 Meiosis regulating compounds CYP11A1, NR5A1, MNS1 CRYAB 1240/4885CRYAA 2434/4885USP2 4073/4885

“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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