SCHEMBL4488313

SCHEMBL4488313

CC(C)CCc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.65
DHODH Q02127 1/20 0.65
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
MEN1 O00255 4/20 0.56
MAPT P10636 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 3/20 0.56
MAOB P27338 3/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
PTGS1 P23219 2/20 0.55
PTGS2 P35354 2/20 0.55
CYP3A4 P08684 3/20 0.51
NFKB1 P19838 3/20 0.51
CHRNA7 P36544 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51

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
SCHEMBL4488317 1.00 PTPN1 (0.65) PTPN1DHODHCASP3SENP8SENP7
SCHEMBL5516596 0.86 MAOB (0.67) PTPN1DHODHMEN1MAPTKMT2A
SCHEMBL5516595 0.86 MAOB (0.67) PTPN1DHODHMEN1MAPTKMT2A
SCHEMBL10713085 0.81 CYP3A4 (0.58) MEN1MAPTKMT2ALMNAMAOB
SCHEMBL10713091 0.81 CYP3A4 (0.58) MEN1MAPTKMT2ALMNAMAOB
SCHEMBL16424484 0.81 PTPN1 (0.67) PTPN1DHODHCASP3SENP8SENP7
Isobavachalcone SCHEMBL600137 0.79 PTPN1 (1.00) PTPN1DHODHCASP3SENP8SENP7
SCHEMBL14075645 0.77 PDPK1 (0.69) MEN1MAPTKMT2AMAOBNFKB1
SCHEMBL5519707 0.76 PTPN1 (0.62) PTPN1DHODHCASP3SENP8SENP7
SCHEMBL5519708 0.76 PTPN1 (0.62) PTPN1DHODHCASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498357-B2 1-[2,3-dihydro-4-hydroxy-2-(1-hydroxy-1,5-dimethyl-4-hexenyl)-benzofuran-5-yl]-3-(4-hydroxyphenyl)-2-propen-1-one; antiinflammatory, anticarcinogenic agent; nitrogen monoxide (NO) production suppresant, aldose reductase inhibitor; chronic rheumatic arthritis, osteoarthritis, gouty arthritis TAKARA BIO INC. (JP) 2009-03-03 US disclosed
US-7498357-B2 1-[2,3-dihydro-4-hydroxy-2-(1-hydroxy-1,5-dimethyl-4-hexenyl)-benzofuran-5-yl]-3-(4-hydroxyphenyl)-2-propen-1-one; antiinflammatory, anticarcinogenic agent; nitrogen monoxide (NO) production suppresant, aldose reductase inhibitor; chronic rheumatic arthritis, osteoarthritis, gouty arthritis TAKARA BIO INC. (JP) 2009-03-03 US disclosed
US-20070112066-A1 Remedy TAKARA BIO INC. (JP) 2007-05-17 US disclosed
US-20070112066-A1 Remedy TAKARA BIO INC. (JP) 2007-05-17 US disclosed
EP-1702912-A1 REMEDY TAKARA BIO INC. (JP) 2006-09-20 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 (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-20070112066-A1 Remedy AKR1B1, AKR1C2, ALDOA PTPN1 1047/4885DHODH 353/4885CASP3 2852/4885

“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.