SCHEMBL12846567

SCHEMBL12846567

CC1=C(O)C(=O)c2c(ccc(O)c2C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.41
▸ MEN1 O00255 8/20 0.41
▸ KMT2A Q03164 8/20 0.41
▸ ALDH1A1 P00352 8/20 0.41
▸ MAPK1 P28482 8/20 0.41
▸ KDM4E B2RXH2 7/20 0.41
▸ MAOA P21397 6/20 0.41
▸ RECQL P46063 6/20 0.41
▸ HPGD P15428 5/20 0.41
▸ TDP1 Q9NUW8 5/20 0.41
▸ ALOX15 P16050 4/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ THRB P10828 3/20 0.41
▸ USP2 O75604 3/20 0.41
▸ APEX1 P27695 2/20 0.41
▸ RAF1 P04049 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAP2K1 Q02750 2/20 0.41
▸ BRCA1 P38398 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
SCHEMBL18048092 0.86 MAPT (0.54) MAPTMEN1KMT2AALDH1A1MAPK1
Dioncoquinone B SCHEMBL3401149 0.85 MEN1 (0.60) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL18048114 0.84 MAPT (0.52) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL13752255 0.79 STAT3 (0.37) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL30004289 0.77 MEN1 (0.52) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL5810491 0.77 MEN1 (0.52) MAPTMEN1KMT2AALDH1A1MAPK1
Droserone SCHEMBL5858407 0.77 MAOA (0.67) MAPTMEN1KMT2AALDH1A1MAPK1
Droserone SCHEMBL30003199 0.77 MAOA (0.67) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL3265542 0.77 MAPT (0.67) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL3431641 0.70 RAB9A (0.59) MAPTMEN1KMT2AALDH1A1KDM4E

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-20110059911-A1 Antiinfective and Antitumoral Compounds Isolated From Tropical Lianas JULIUS-MAXIMILIANS-UNIVERSITAT WURZBURG (DE) 2011-03-10 — — 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-20110059911-A1 Antiinfective and Antitumoral Compounds Isolated From Tropical Lianas NCL, SYNCRIP, MYC MAPT 4212/4885MEN1 2620/4885KMT2A 3017/4885

“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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