SCHEMBL3335123

SCHEMBL3335123

COc1cc(OC)c2cc(C(=O)O)[nH]c2c1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
HPGD P15428 2/20 0.67
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
IDO1 P14902 4/20 0.53
TDO2 P48775 4/20 0.53
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
TPMT P51580 1/20 0.46
CYP19A1 P11511 3/20 0.42
NQO2 P16083 3/20 0.42
GPR35 Q9HC97 1/20 0.41
FBP1 P09467 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
PKM P14618 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL29824959 0.80 KDM4E (1.00) KDM4EHPGDALDH1A1LMNAIDO1
SCHEMBL3602542 0.80 KDM4E (1.00) KDM4EHPGDALDH1A1LMNAIDO1
SCHEMBL30397196 0.78 KDM4E (0.63) KDM4EHPGDALDH1A1LMNAIDO1
SCHEMBL20505539 0.78 KDM4E (0.63) KDM4EHPGDALDH1A1LMNAIDO1
SCHEMBL2908763 0.77 KDM4E (0.59) KDM4EHPGDALDH1A1LMNAIDO1
SCHEMBL1771123 0.77 HPGD (1.00) KDM4EHPGDALDH1A1LMNAIDO1
SCHEMBL1145054 0.76 HPGD (0.70) KDM4EHPGDALDH1A1LMNAIDO1
SCHEMBL1144735 0.76 KDM4E (0.79) KDM4EHPGDALDH1A1LMNAIDO1
Hydrochloric Acid SCHEMBL3555727 0.76 HPGD (0.97) KDM4EHPGDALDH1A1LMNAIDO1
SCHEMBL24112536 0.76 KDM4E (0.60) KDM4EHPGDALDH1A1LMNAIDO1

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-20100144779-A1 Marine Alkalod Makaluvamines and Derivatives Thereof THE UAB RESEARCH FOUNDATION (US) 2010-06-10 US disclosed
WO-2008103483-A2 MARINE ALKALOID MAKALUVAMINES AND DERIVATIVES THEREOF THE UAB RESEARCH FOUNDATION (US) 2008-08-28 WO 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-20100144779-A1 Marine Alkalod Makaluvamines and Derivatives Thereof TOP2A, CHEK2, TOP2B KDM4E 541/4885HPGD 1636/4885ALDH1A1 3137/4885

“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.