SCHEMBL6899643

SCHEMBL6899643

O=[C]CCc1cc(O)c(O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.38
SELL P14151 5/20 0.36
SELP P16109 5/20 0.36
SELE P16581 4/20 0.36
ADRB2 P07550 2/20 0.35
KDM4E B2RXH2 4/20 0.34
MAPT P10636 4/20 0.34
TDP1 Q9NUW8 4/20 0.34
MAPK1 P28482 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
TP53 P04637 2/20 0.34
SNCA P37840 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
FUT4 P22083 1/20 0.34

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
SCHEMBL10787148 0.78 TTR (0.41) MAPTALDH1A1LMNAHSD17B10HTT
SCHEMBL1891731 0.78 ALOX15 (0.59) ADRB2KDM4EMAPTTDP1MAPK1
SCHEMBL6900178 0.78 KDM4E (0.39) SERPINE1SELLSELPSELEKDM4E
SCHEMBL265388 0.74 GAA (0.53) KDM4EMAPTTDP1MAPK1ALDH1A1
SCHEMBL4846564 0.73 CES2 (0.34)
SCHEMBL1009733 0.71 EGFR (0.43) MAPTTDP1MAPK1TP53HPGD
SCHEMBL17138365 0.70 TDP1 (0.62) ADRB2KDM4EMAPTTDP1MAPK1
SCHEMBL328576 0.70 TDP1 (0.62) ADRB2KDM4EMAPTTDP1MAPK1
3,4,5-Trihydroxyphenethyl Alcohol SCHEMBL2990691 0.70 KDM4E (0.58) SERPINE1SELLSELPSELEADRB2
SCHEMBL909945 0.70 CYP3A4 (0.63) ADRB2LMNAAPEX1GAAALOX15

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171130-A4 PHARMACEUTICAL COMPOSITIONS CONTAINING POLY(ADP-RIBOSE) GLYCOHYDROLASE INHIBITORS AND METHODS OF USING THE SAME GUILFORD PHARM INC (US) 2004-05-19 EP claimed
US-20030078212-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING POLY(ADP-RIBOSE) GLYCOHYDROLASE INHIBITORS AND METHODS OF USING THE SAME GUILFORD PHARMACEUTICALS INC. 2003-04-24 US claimed
JP-2002540060-A 2002-11-26 JP claimed
EP-1171130-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING POLY(ADP-RIBOSE) GLYCOHYDROLASE INHIBITORS AND METHODS OF USING THE SAME GUILFORD PHARMACEUTICALS INC. (US) 2002-01-16 EP claimed
WO-2000025787-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING POLY(ADP-RIBOSE) GLYCOHYDROLASE INHIBITORS AND METHODS OF USING THE SAME GUILFORD PHARMACEUTICALS INC. (US) 2000-05-11 WO claimed
EP-1171130-A4 PHARMACEUTICAL COMPOSITIONS CONTAINING POLY(ADP-RIBOSE) GLYCOHYDROLASE INHIBITORS AND METHODS OF USING THE SAME GUILFORD PHARM INC (US) 2004-05-19 EP disclosed
US-20030078212-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING POLY(ADP-RIBOSE) GLYCOHYDROLASE INHIBITORS AND METHODS OF USING THE SAME GUILFORD PHARMACEUTICALS INC. 2003-04-24 US disclosed
EP-1171130-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING POLY(ADP-RIBOSE) GLYCOHYDROLASE INHIBITORS AND METHODS OF USING THE SAME GUILFORD PHARMACEUTICALS INC. (US) 2002-01-16 EP disclosed
WO-2000025787-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING POLY(ADP-RIBOSE) GLYCOHYDROLASE INHIBITORS AND METHODS OF USING THE SAME GUILFORD PHARMACEUTICALS INC. (US) 2000-05-11 WO 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-20030078212-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING POLY(ADP-RIBOSE) GLYCOHYDROLASE INHIBITORS AND METHODS OF USING THE SAME PARP10, PARG, DERA SERPINE1 84/4885SELL 1184/4885SELP 1874/4885

“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.