SCHEMBL4457087

SCHEMBL4457087

C=CCc1ccc(Oc2cc(CC=C)cc(OC(=O)COC)c2OC(=O)COC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.47
CYP3A4 P08684 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.43
ALOX5 P09917 2/20 0.43
AR P10275 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
PPARA Q07869 3/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPT P10636 2/20 0.42
MMP2 P08253 1/20 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
SCHEMBL4458478 0.83 PTGS1 (0.61) PTGS1CYP3A4MEN1KMT2ATDP1
SCHEMBL10824946 0.80 ALDH1A1 (0.56) PTGS1CYP3A4MEN1KMT2ATDP1
SCHEMBL4457177 0.76 ALDH1A1 (0.61) PTGS1CYP3A4MEN1KMT2ATDP1
SCHEMBL3359145 0.75 TUBB4A (0.45) CYP3A4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3356575 0.75 TUBB4A (0.45) CYP3A4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL20723796 0.72 PTGS1 (0.64) PTGS1CYP3A4MEN1KMT2ATDP1
SCHEMBL18838060 0.71 TNKS (0.61) PTGS1CYP3A4MEN1KMT2ATDP1
SCHEMBL20723702 0.71 PTGS1 (0.62) PTGS1CYP3A4MEN1KMT2ATDP1
Obovator SCHEMBL454929 0.70 MMP2 (0.67) PTGS1CYP3A4MEN1KMT2AALDH1A1
Obovator SCHEMBL33525039 0.70 MMP2 (0.67) PTGS1CYP3A4MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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 (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-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 PTGS1 1570/4885CYP3A4 50/4885MEN1 1237/4885

“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.