SCHEMBL3356737

SCHEMBL3356737

C/C=C/c1ccc(Oc2cc(/C=C/C)cc(O)c2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.51
MMP2 P08253 1/20 0.49
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP3A4 P08684 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TUBB1 Q9H4B7 5/20 0.45
NFE2L2 Q16236 1/20 0.45
CNR2 P34972 1/20 0.44
NQO2 P16083 2/20 0.44
RELA Q04206 1/20 0.44
ALOX5 P09917 3/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
CYP1A1 P04798 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP1B1 Q16678 1/20 0.42
TUBB4A P04350 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
SCHEMBL3356745 1.00 TYR (0.51) TYRMMP2LMNAKDM4ECYP3A4
SCHEMBL3642353 0.78 TUBB1 (0.50) MMP2KDM4ECYP3A4TP53ALDH1A1
SCHEMBL3642356 0.78 TUBB1 (0.50) MMP2KDM4ECYP3A4TP53ALDH1A1
SCHEMBL2119058 0.77 TYR (0.65) TYRLMNAKDM4ECYP3A4ALDH1A1
SCHEMBL21852875 0.77 TYR (0.65) TYRLMNAKDM4ECYP3A4ALDH1A1
SCHEMBL30491036 0.77 TYR (0.65) TYRLMNAKDM4ECYP3A4ALDH1A1
SCHEMBL10602315 0.77 TYR (0.65) TYRLMNAKDM4ECYP3A4ALDH1A1
SCHEMBL7546943 0.75 TUBB1 (0.55) TYRTUBB1CNR2NQO2ALOX5
SCHEMBL7546946 0.75 TUBB1 (0.55) TYRTUBB1CNR2NQO2ALOX5
SCHEMBL21110872 0.75 LMNA (0.70) TYRLMNAKDM4ECYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239955-A1 Novel obovatol derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and pharmaceutical composition for the prevention and treatment of cancer containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-09-24 US claimed
US-8183405-B2 Obovatol derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and pharmaceutical composition for the prevention and treatment of cancer containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-05-22 US disclosed
US-8183405-B2 Obovatol derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and pharmaceutical composition for the prevention and treatment of cancer containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-05-22 US disclosed
US-8183405-B2 Obovatol derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and pharmaceutical composition for the prevention and treatment of cancer containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-05-22 US disclosed
US-20100125103-A1 COMPOSITION FOR THE TREATMENT OF DIABETES AND METABOLIC SYNDROME CONTAINING OBOVATOL AND ITS SYNTHESIZED DERIVATIVES TG BIOTECH CO. LTD. (KR) 2010-05-20 US disclosed
US-20100125103-A1 COMPOSITION FOR THE TREATMENT OF DIABETES AND METABOLIC SYNDROME CONTAINING OBOVATOL AND ITS SYNTHESIZED DERIVATIVES TG BIOTECH CO. LTD. (KR) 2010-05-20 US disclosed
US-20100125103-A1 COMPOSITION FOR THE TREATMENT OF DIABETES AND METABOLIC SYNDROME CONTAINING OBOVATOL AND ITS SYNTHESIZED DERIVATIVES TG BIOTECH CO. LTD. (KR) 2010-05-20 US disclosed
US-20090239955-A1 Novel obovatol derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and pharmaceutical composition for the prevention and treatment of cancer containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-09-24 US disclosed
US-20090239955-A1 Novel obovatol derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and pharmaceutical composition for the prevention and treatment of cancer containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-09-24 US disclosed
US-20090239955-A1 Novel obovatol derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and pharmaceutical composition for the prevention and treatment of cancer containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-09-24 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 (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-20100125103-A1 COMPOSITION FOR THE TREATMENT OF DIABETES AND METABOLIC SYNDROME CONTAINING OBOVATOL AND ITS SYNTHESIZED DERIVATIVES GPR119, PRKAG1, AK1 TYR 1780/4885MMP2 3067/4885LMNA 4162/4885
US-20090239955-A1 Novel obovatol derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and pharmaceutical composition for the prevention and treatment of cancer containing the same as an active ingredient OGFRL1, TP53, BAX TYR 258/4885MMP2 640/4885LMNA 4394/4885

“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.