SCHEMBL1396565

SCHEMBL1396565

C=C(C)C(=O)NC(C)(Cc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.64
KDM4E B2RXH2 5/20 0.64
MAPT P10636 5/20 0.64
HPGD P15428 4/20 0.64
TDP1 Q9NUW8 4/20 0.64
ALOX15 P16050 4/20 0.64
ALDH1A1 P00352 3/20 0.64
POLB P06746 3/20 0.64
CYP1A2 P05177 3/20 0.64
LMNA P02545 3/20 0.64
THPO P40225 3/20 0.64
CYP3A4 P08684 2/20 0.64
MAPK1 P28482 2/20 0.64
ALOX12 P18054 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
BLM P54132 3/20 0.54
GAA P10253 2/20 0.54
APEX1 P27695 2/20 0.54
PMP22 Q01453 2/20 0.54
USP2 O75604 2/20 0.54

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
SCHEMBL28760507 0.82 HSD17B10 (0.74) HSD17B10KDM4EMAPTHPGDTDP1
SCHEMBL28760511 0.82 HSD17B10 (0.74) HSD17B10KDM4EMAPTHPGDTDP1
SCHEMBL29658794 0.82 HSD17B10 (0.74) HSD17B10KDM4EMAPTHPGDTDP1
SCHEMBL10728310 0.82 HSD17B10 (0.69) HSD17B10KDM4EMAPTHPGDTDP1
SCHEMBL12608355 0.82 HSD17B10 (0.48) HSD17B10KDM4EMAPTHPGDTDP1
SCHEMBL1396585 0.81 ALDH1A1 (0.64) HSD17B10KDM4EMAPTHPGDTDP1
SCHEMBL13987942 0.80 HSD17B10 (0.75) HSD17B10KDM4EMAPTHPGDTDP1
SCHEMBL11654746 0.80 HSD17B10 (0.70) HSD17B10KDM4EMAPTHPGDTDP1
SCHEMBL11656038 0.80 MAPT (0.66) HSD17B10KDM4EMAPTHPGDTDP1
SCHEMBL10530662 0.80 POLB (0.66) HSD17B10KDM4EMAPTHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288632-B1 MULTIFUNCTIONAL COATINGS Université de Liège (BE) 2017-04-05 EP disclosed
US-8404760-B2 Filled dental material based on polymerizable dihydroxy-phenylalanine derivatives IVOCLAR VIVADENT AG (LI) 2013-03-26 US disclosed
US-8404760-B2 Filled dental material based on polymerizable dihydroxy-phenylalanine derivatives IVOCLAR VIVADENT AG (LI) 2013-03-26 US disclosed
EP-2324810-A1 Filled dental material based on polymerisable dihydroxyphenylalanine derivatives Ivoclar Vivadent AG (LI) 2011-05-25 EP disclosed
US-20110118380-A1 Filled Dental Material Based on Polymerizable Dihydroxy-Phenylalanine Derivatives IVOCLAR VIVADENT AG (LI) 2011-05-19 US disclosed
US-20110118380-A1 Filled Dental Material Based on Polymerizable Dihydroxy-Phenylalanine Derivatives IVOCLAR VIVADENT AG (LI) 2011-05-19 US disclosed
US-20110076504-A1 MULTIFUNCTIONAL COATINGS UNIVERSITE DE LIEGE (BE) 2011-03-31 US disclosed
EP-2288632-A2 MULTIFUNCTIONAL COATINGS Université de Liège (BE) 2011-03-02 EP disclosed
WO-2009147007-A2 MULTIFUNCTIONAL COATINGS UNIVERSITE DE LIEGE (BE) 2009-12-10 WO disclosed
EP-2130844-A1 Multifunctional coatings Université de Liège (BE) 2009-12-09 EP 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-20110118380-A1 Filled Dental Material Based on Polymerizable Dihydroxy-Phenylalanine Derivatives PAH, FANCI, P4HA1 HSD17B10 439/4885KDM4E 1100/4885MAPT 879/4885

“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.