SCHEMBL4472816

SCHEMBL4472816

CC(=O)Oc1cc(C(C)=O)c(O)c(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
HTT P42858 2/20 0.43
CYP3A4 P08684 2/20 0.40
CFD P00746 1/20 0.40
KDM4E B2RXH2 3/20 0.39
TOP1 P11387 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 3/20 0.38
TNFSF11 O14788 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ESR1 P03372 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HMGB1 P09429 1/20 0.38

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
SCHEMBL2912166 0.81 POLB (0.56) POLBHTTCYP3A4CFDKDM4E
SCHEMBL6901292 0.76 SMN1; SMN2 (0.48) POLBHTTCYP3A4KDM4ETDP1
SCHEMBL7566198 0.76 POLB (0.54) POLBHTTCYP3A4KDM4ETOP1
SCHEMBL10516942 0.75 HTT (0.68) HTTCYP3A4CFDKDM4ETOP1
SCHEMBL8377613 0.75 POLB (0.49) POLBHTTCFDKDM4ETOP1
SCHEMBL4466762 0.74 MEN1 (0.52) POLBHTTCYP3A4KDM4ETDP1
SCHEMBL23535311 0.74 KDM4E (0.62) POLBHTTCFDKDM4ETDP1
SCHEMBL10336107 0.73 KDM4E (0.53) POLBHTTCFDKDM4ETOP1
Acetic Acid SCHEMBL7567667 0.73 POLB (0.51) POLBHTTCYP3A4CFDKDM4E
SCHEMBL7039810 0.71 TNFSF11 (0.51) POLBCYP3A4TDP1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
EP-1836183-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS Galileo Pharmaceuticals, Inc. (US) 2007-09-26 EP disclosed
US-7078541-B2 Benzofuran derivatives GALILEO PHARMACEUTICALS, INC. (US) 2006-07-18 US disclosed
WO-2006065686-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS GALILEO PHARMACEUTICALS, INC. (US) 2006-06-22 WO disclosed
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 US disclosed
CN-1252031-C Method for preparing monoacylated hydroquinone compound BASF AG (DE) 2006-04-19 CN disclosed
WO-2005027900-A1 BENZOFURAN DERIVATIVES GALILEO PHARMACEUTICALS, INC. (US) 2005-03-31 WO disclosed
US-20040063975-A1 Benzofuran derivatives EDISON PHARMACEUTICALS, INC. 2004-04-01 US disclosed
EP-1094056-B1 Process for the preparation of monoacetylated hydrochinone compounds BASF AG (DE) 2004-02-25 EP disclosed
US-6653346-B1 Amtiischemic and antiinflammatory agents GALILEO PHARMACEUTICALS, INC. 2003-11-25 US disclosed
US-6476253-B1 Process for preparing monoacetylated hydroquinone compounds BASF AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed
CN-1294116-A Method for preparing monoacylated hydroquinone compound BASF AG (DE) 2001-05-09 CN disclosed
EP-1094056-A1 Process for the preparation of monoacetylated hydrochinone compounds BASF AKTIENGESELLSCHAFT (DE) 2001-04-25 EP 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 (2 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-20040063975-A1 Benzofuran derivatives NDUFAB1, AIFM1, NDUFAF1 POLB 1299/4885HTT 400/4885CYP3A4 823/4885
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors ALOX15B, ALOX5, ALOX15 POLB 2855/4885HTT 3071/4885CYP3A4 317/4885

“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.