Rotundifuran

Rotundifuran

SCHEMBL6233092

CC(=O)O[C@H]1C[C@H](C)[C@@](O)(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@H]12

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
USP2 O75604 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SULT1E1 P49888 1/20 0.37
ERAP1 Q9NZ08 2/20 0.37
NR1H4 Q96RI1 3/20 0.35
CDC25A P30304 4/20 0.34
PTPN1 P18031 3/20 0.34
DUSP3 P51452 3/20 0.34
ATP1A1 P05023 2/20 0.34
ATP1B1 P05026 2/20 0.34
ATP1A3 P13637 2/20 0.34
ATP1B2 P14415 2/20 0.34
ATP1A2 P50993 2/20 0.34
ATP1B3 P54709 2/20 0.34
FXYD2 P54710 2/20 0.34
ATP1A4 Q13733 2/20 0.34
OPRK1 P41145 1/20 0.31

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
SCHEMBL19766903 0.79 ALDH1A1 (0.51) ALDH1A1MAPTUSP2CYP3A4HSD17B10
Vitexilactone SCHEMBL4931755 0.79 PPARG (0.46) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL26472022 0.78 ALDH1A1 (0.53) ALDH1A1MAPTUSP2CYP3A4HSD17B10
Marrubenol SCHEMBL4450048 0.75 ALDH1A1 (0.53) ALDH1A1MAPTUSP2CYP3A4HSD17B10
SCHEMBL26472020 0.75 ALDH1A1 (0.55) ALDH1A1MAPTUSP2CYP3A4HSD17B10
SCHEMBL13446725 0.72 ALDH1A1 (1.00) ALDH1A1MAPTUSP2CYP3A4HSD17B10
SCHEMBL13446726 0.71 ALDH1A1 (0.72) ALDH1A1MAPTUSP2CYP3A4HSD17B10
SCHEMBL13446720 0.71 ALDH1A1 (0.72) ALDH1A1MAPTUSP2CYP3A4HSD17B10
SCHEMBL28317029 0.69 ALDH1A1 (0.48) ALDH1A1MAPTUSP2CYP3A4HSD17B10
SCHEMBL30525934 0.69 ALDH1A1 (0.47) ALDH1A1MAPTUSP2CYP3A4HSD17B10

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
EP-1131061-B1 AGENT FOR LOWERING PROLACTIN BIONORICA AG (DE) 2005-06-01 EP disclosed
US-20040138297-A1 Agent for lowering prolactin WUTTKE WOLFGANG (DE) 2004-07-15 US disclosed
US-6635672-B1 Labdane or celerodane type bicyclic diterpenes; menstrual cycle disorders BIONORICA AG (DE) 2003-10-21 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 (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-20040138297-A1 Agent for lowering prolactin PRLHR, ADCYAP1R1, GHRHR ALDH1A1 619/4885MAPT 3267/4885USP2 2396/4885

“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.