SCHEMBL6900178

SCHEMBL6900178

O=[C]Cc1cc(O)c(O)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
SELL P14151 3/20 0.39
SELP P16109 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
FUT7 Q11130 2/20 0.39
CA12 O43570 1/20 0.39
TP53 P04637 1/20 0.39
CA3 P07451 1/20 0.39
HPGD P15428 1/20 0.39
FUT4 P22083 1/20 0.39
DPP4 P27487 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL10943673 0.78 HSD17B10 (0.44) LMNAALDH1A1MAPTHSD17B10CA2
SCHEMBL3217327 0.78 CA1 (0.56) KDM4ELMNATDP1ALDH1A1MAPT
SCHEMBL8396691 0.78 TTR (0.44) LMNATDP1ALDH1A1MAPTHSD17B10
SCHEMBL6899643 0.78 SERPINE1 (0.38) KDM4ELMNATDP1SELLSELP
SCHEMBL6474809 0.73 ALDH1A1 (0.53) KDM4ELMNATDP1ALDH1A1MAPT
SCHEMBL11698902 0.73 TSHR (0.42) KDM4ELMNATDP1SELLSELP
SCHEMBL11046141 0.72 KDM4E (0.42) KDM4ELMNATDP1SELLSELP
SCHEMBL11408792 0.71 CA1 (0.52) KDM4ELMNATDP1SELLSELP
SCHEMBL1528872 0.70 CYP19A1 (0.46) KDM4ELMNATDP1ALDH1A1MAPT
SCHEMBL68262 0.69 ACHE (0.55) KDM4ELMNATDP1SELLSELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101967094-B Phenylacetyl quinic acid of witlooves and ester compound thereof LI GUOYU 2013-06-19 CN claimed
CN-101967094-A Phenylacetyl quinic acid of witlooves and ester compound thereof GUOYU LI 2011-02-09 CN 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 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
CN-101967094-B Phenylacetyl quinic acid of witlooves and ester compound thereof LI GUOYU 2013-06-19 CN disclosed
CN-101967094-A Phenylacetyl quinic acid of witlooves and ester compound thereof GUOYU LI 2011-02-09 CN disclosed
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
US-4560749-A ANTIBIOTICS, BACTERICIDES ELI LILLY AND COMPANY (US) 1985-12-24 US disclosed
US-4521598-A 3-Azidocephalosporins ELI LILLY AND COMPANY (US) 1985-06-04 US disclosed
EP-0136177-A2 3-Azidocephalosporins as intermediates and novel antibacterial agents ELI LILLY AND COMPANY (US) 1985-04-03 EP disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 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-20030078212-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING POLY(ADP-RIBOSE) GLYCOHYDROLASE INHIBITORS AND METHODS OF USING THE SAME PARP10, PARG, DERA KDM4E 1091/4885LMNA 99/4885TDP1 49/4885

“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.