SCHEMBL6905401

SCHEMBL6905401

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ G6PD P11413 3/20 0.77
▸ GPBAR1 Q8TDU6 6/20 0.68
▸ LMNA P02545 6/20 0.68
▸ CYP3A4 P08684 4/20 0.68
▸ SHBG P04278 3/20 0.68
▸ SERPINA6 P08185 3/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ TSHR P16473 2/20 0.68
▸ CYP2C19 P33261 2/20 0.68
▸ PMP22 Q01453 2/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ HSD17B3 P37058 1/20 0.68
▸ AKR1B10 O60218 1/20 0.68
▸ AKR1B1 P15121 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ NFKB1 P19838 1/20 0.68
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62

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
SCHEMBL1418766 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG
SCHEMBL1418928 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG
SCHEMBL6874636 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG
SCHEMBL1418641 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG
SCHEMBL1418980 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG
SCHEMBL6884657 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG
SCHEMBL1419111 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG
SCHEMBL1418644 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG
SCHEMBL1500304 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG
SCHEMBL1418792 1.00 G6PD (0.77) G6PDGPBAR1LMNACYP3A4SHBG

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-20040220161-A1 Pharmaceutical compositions and treatment methods-6 BIOVIE INC. 2004-11-04 — — 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-20040220161-A1 Pharmaceutical compositions and treatment methods-6 HSD17B7, HSD3B1, NR5A1 G6PD 189/4885GPBAR1 202/4885LMNA 4641/4885

“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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