SCHEMBL6441434

SCHEMBL6441434

COC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@@H]4[C@H]3CC[C@]12C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.51
▸ LMNA P02545 5/20 0.51
▸ SERPINA6 P08185 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ SLC22A1 O15245 1/20 0.48
▸ SHBG P04278 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ HIF1A Q16665 2/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PDK1 Q15118 2/20 0.42
▸ PDK2 Q15119 2/20 0.42
▸ PDK3 Q15120 2/20 0.42
▸ PDK4 Q16654 2/20 0.42
▸ ESR1 P03372 4/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ CYP3A4 P08684 6/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ MEN1 O00255 2/20 0.41

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
SCHEMBL6446239 1.00 MAPT (0.51) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL19303468 0.89 LMNA (0.52) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL3463227 0.89 LMNA (0.52) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL6436851 0.89 MAPT (0.51) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL24103254 0.84 MAPT (0.69) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL6445859 0.84 MAPT (0.69) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL25870609 0.82 AR (0.51) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL25865371 0.82 AR (0.51) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL6442919 0.80 MAPT (0.44) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL6442618 0.80 MAPT (0.44) MAPTLMNASERPINA6ALDH1A1SLC22A1

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 MAPT 2579/4885LMNA 4071/4885SERPINA6 60/4885

“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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