SCHEMBL4458478

SCHEMBL4458478

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.61
ALOX5 P09917 3/20 0.51
MMP2 P08253 1/20 0.44
CYP3A4 P08684 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.43
AR P10275 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL4457087 0.83 PTGS1 (0.47) PTGS1ALOX5MMP2CYP3A4MEN1
SCHEMBL11891610 0.80 PTGS1 (0.85) PTGS1ALOX5CYP3A4MEN1KMT2A
SCHEMBL31518919 0.79 PTGS1 (0.57) PTGS1ALOX5CYP3A4MEN1KMT2A
SCHEMBL3357654 0.78 THRB (0.46) PTGS1ALOX5MEN1KMT2AALDH1A1
SCHEMBL797506 0.78 SMN1; SMN2 (0.58) PTGS1ALOX5CYP3A4MEN1KMT2A
SCHEMBL31518923 0.78 PTGS1 (0.56) PTGS1ALOX5CYP3A4MEN1KMT2A
SCHEMBL31518901 0.78 PTGS1 (0.56) PTGS1ALOX5CYP3A4MEN1KMT2A
SCHEMBL31518914 0.78 PTGS1 (0.56) PTGS1ALOX5CYP3A4MEN1KMT2A
SCHEMBL4254460 0.77 PTGS1 (0.71) PTGS1ALOX5CYP3A4MEN1KMT2A
SCHEMBL4457177 0.77 ALDH1A1 (0.61) PTGS1ALOX5MMP2CYP3A4MEN1

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 7 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-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 1570/4885ALOX5 1111/4885MMP2 640/4885

“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.