SCHEMBL6446575

SCHEMBL6446575

COC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@@H]4[C@H]3CC[C@]12C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.40
▸ CYP19A1 P11511 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ NR1I2 O75469 2/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ AR P10275 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SHBG P04278 1/20 0.37
▸ MCL1 Q07820 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HIF1A Q16665 1/20 0.35

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
SCHEMBL6439919 0.89 MAPT (0.41) CYP17A1CYP19A1MAPTLMNACYP3A4
SCHEMBL6436012 0.89 MAPT (0.41) CYP17A1CYP19A1MAPTLMNACYP3A4
SCHEMBL6445591 0.81 MAPT (0.36) CYP17A1CYP19A1MAPTLMNACYP3A4
SCHEMBL6442507 0.81 MAPT (0.36) CYP17A1CYP19A1MAPTLMNACYP3A4
SCHEMBL19961196 0.80 MAPT (0.61) CYP17A1CYP19A1MAPTLMNACYP3A4
SCHEMBL16144354 0.80 MAPT (0.61) CYP17A1CYP19A1MAPTLMNACYP3A4
SCHEMBL9678418 0.80 SHBG (0.57) CYP19A1MAPTLMNACYP3A4NR3C1
SCHEMBL1569239 0.80 SHBG (0.57) CYP19A1MAPTLMNACYP3A4NR3C1
SCHEMBL1569212 0.80 SHBG (0.57) CYP19A1MAPTLMNACYP3A4NR3C1
SCHEMBL7195029 0.80 SHBG (0.57) CYP19A1MAPTLMNACYP3A4NR3C1

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-20050159366-A1 Pharmaceutical compositions and treatment methods - 8 BIOVIE INC. 2005-07-21 — — US claimed

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-20050159366-A1 Pharmaceutical compositions and treatment methods - 8 HSD17B7, NR5A1, HSD3B1 CYP17A1 4/4885CYP19A1 42/4885MAPT 2579/4885

“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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