SCHEMBL6448737

SCHEMBL6448737

C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)C=C[C@@H]43)[C@@H]1CC[C@@H]2O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 6/20 0.54
▸ SHBG P04278 5/20 0.54
▸ ESR2 Q92731 5/20 0.54
▸ SERPINA6 P08185 2/20 0.54
▸ SLC22A1 O15245 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ PDK1 Q15118 2/20 0.52
▸ PDK2 Q15119 2/20 0.52
▸ PDK3 Q15120 2/20 0.52
▸ PDK4 Q16654 2/20 0.52
▸ LMNA P02545 5/20 0.43
▸ CYP19A1 P11511 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ G6PD P11413 2/20 0.43

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
SCHEMBL6448612 1.00 ESR1 (0.54) ESR1SHBGESR2SERPINA6SLC22A1
SCHEMBL6450159 1.00 ESR1 (0.54) ESR1SHBGESR2SERPINA6SLC22A1
SCHEMBL6437488 0.81 SHBG (0.62) ESR1SHBGESR2SERPINA6SLC22A1
SCHEMBL6442618 0.80 MAPT (0.44) ESR1SHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6442919 0.80 MAPT (0.44) ESR1SHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6448963 0.75 SHBG (0.65) ESR1SHBGESR2SERPINA6SLC22A1
SCHEMBL6575174 0.75 SHBG (0.65) ESR1SHBGESR2SERPINA6SLC22A1
SCHEMBL21807739 0.75 SHBG (0.65) ESR1SHBGESR2SERPINA6SLC22A1
SCHEMBL547771 0.75 SHBG (0.65) ESR1SHBGESR2SERPINA6SLC22A1
SCHEMBL6575143 0.75 SHBG (0.65) ESR1SHBGESR2SERPINA6SLC22A1

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-20050282732-A1 Pharmaceutical compositions and treatment methods-7 BIOVIE INC. 2005-12-22 — — 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-20050282732-A1 Pharmaceutical compositions and treatment methods-7 HSD17B7, IL17A, HSD3B1 ESR1 477/4885SHBG 52/4885ESR2 374/4885

“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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