SCHEMBL12608355

SCHEMBL12608355

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.48
KDM4E B2RXH2 5/20 0.48
MAPT P10636 5/20 0.48
HPGD P15428 4/20 0.48
TDP1 Q9NUW8 4/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 3/20 0.48
ALOX15 P16050 3/20 0.48
LMNA P02545 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
THPO P40225 2/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BLM P54132 3/20 0.48
GAA P10253 2/20 0.48
APEX1 P27695 2/20 0.48
PMP22 Q01453 2/20 0.48
USP2 O75604 2/20 0.48

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
SCHEMBL12608299 0.82 MAPT (0.48) HSD17B10KDM4EMAPTHPGDTDP1
SCHEMBL1396565 0.82 HSD17B10 (0.64) HSD17B10KDM4EMAPTHPGDTDP1
SCHEMBL12608328 0.81 ALDH1A1 (0.43) ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL11533258 0.80 HSD17B10 (0.65) HSD17B10KDM4EMAPTHPGDTDP1
SCHEMBL10777945 0.77 KDM4E (0.54) HSD17B10KDM4EMAPTHPGDTDP1
SCHEMBL11534896 0.71 HSD17B10 (0.60) HSD17B10KDM4EMAPTHPGDTDP1
SCHEMBL339753 0.70 ERCC1 (0.59) HSD17B10KDM4EMAPTHPGDALDH1A1
Methyldopa SCHEMBL11427795 0.70 KDM4E (0.88) HSD17B10KDM4EMAPTHPGDTDP1
SCHEMBL30446328 0.69 MAPT (0.73) HSD17B10KDM4EMAPTHPGDALDH1A1
SCHEMBL27762142 0.69 HSD17B10 (0.67) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.