SCHEMBL13588397

SCHEMBL13588397

COC(=O)[C@@]1(I)COc2ccc(O)cc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
TSHR P16473 2/20 0.33
TMEM97 Q5BJF2 2/20 0.33
ALOX15 P16050 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL13069646 0.82 CYP3A4 (0.41) CYP3A4KDM4EALDH1A1MAPTESR1
SCHEMBL13070037 0.82 CYP3A4 (0.41) CYP3A4KDM4EALDH1A1MAPTESR1
SCHEMBL13588381 0.78 CYP3A4 (0.38) CYP3A4KDM4EALDH1A1MAPTESR1
SCHEMBL27698743 0.76 CYP3A4 (0.41) CYP3A4KDM4EALDH1A1MAPTESR1
SCHEMBL3379747 0.71 CYP3A4 (0.44) CYP3A4KDM4EALDH1A1MAPTESR1
SCHEMBL4382214 0.68 CYP3A4 (0.41) CYP3A4KDM4EALDH1A1MAPTKMT2A
SCHEMBL4458326 0.67 MAPT (0.43) KDM4EALDH1A1MAPTESR1ESR2
SCHEMBL3792549 0.67 CYP3A4 (0.61) CYP3A4KDM4EALDH1A1MAPTMEN1
SCHEMBL4452565 0.67 PPARA (0.39) KDM4EALDH1A1MAPTESR2KMT2A
SCHEMBL13886819 0.67 PPARA (0.39) KDM4EALDH1A1MAPTESR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629372-B2 Compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-20080039514-A1 Compounds for the Treatment of Dyslipidemia and Other Lipid Disorders MERCK & CO., INC. (US) 2008-02-14 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-20080039514-A1 Compounds for the Treatment of Dyslipidemia and Other Lipid Disorders LIPA, APOB, LCAT CYP3A4 818/4885KDM4E 3202/4885ALDH1A1 660/4885

“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.