SCHEMBL13617038

SCHEMBL13617038

CC(=O)Oc1ccccc1C(=O)N[C@@H](Cc1ccc(O)c(OC(=O)c2ccccc2OC(C)=O)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 3/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
PTGS2 P35354 2/20 0.45
KIFC1 Q9BW19 1/20 0.44
ITGB1 P05556 4/20 0.43
ITGA4 P13612 4/20 0.43
ITGB7 P26010 4/20 0.43
ELANE P08246 2/20 0.42
ALB P02768 2/20 0.42
IL2 P60568 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ESR1 P03372 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
SCHEMBL13617036 0.92 KMT2A (0.50) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL13617031 0.92 KDM4E (0.51) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL5925710 0.86 PTGS2 (0.59) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL13617041 0.85 KDM4E (0.49) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL3855594 0.85 KDM4E (0.53) KDM4EHSD17B10KMT2AHPGDMEN1
SCHEMBL3857457 0.84 KMT2A (0.57) KDM4EHSD17B10KMT2AHPGDMEN1
SCHEMBL8252665 0.82 KDM4E (0.40) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL3859674 0.77 KDM4E (0.60) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL11862343 0.77 CCR5 (0.55) HPGDITGB1CA1CA2ITGB3
SCHEMBL3858455 0.76 KDM4E (0.59) KDM4EHSD17B10LMNACYP1A2CYP2C9

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-20090285888-A1 DERIVATIVES OF DIHYDROXYPHENYLALANINE ELLNEUROXX LTD. (DE) 2009-11-19 US disclosed
US-20090285888-A1 DERIVATIVES OF DIHYDROXYPHENYLALANINE ELLNEUROXX LTD. (DE) 2009-11-19 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-20090285888-A1 DERIVATIVES OF DIHYDROXYPHENYLALANINE HTT, NLN, SNCA KDM4E 3710/4885HSD17B10 1148/4885LMNA 542/4885

“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.