SCHEMBL18579366

SCHEMBL18579366

CCC(O)NC(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
HTT P42858 3/20 0.57
HPGD P15428 3/20 0.57
RAB9A P51151 3/20 0.57
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 2/20 0.52
UTS2R Q9UKP6 1/20 0.52
HDAC1 Q13547 6/20 0.51
HDAC6 Q9UBN7 5/20 0.51
HDAC3 O15379 4/20 0.51
HDAC2 Q92769 4/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC11 Q96DB2 4/20 0.50
HDAC4 P56524 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
MAPT P10636 3/20 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
SCHEMBL18579597 0.87 ALDH1A1 (0.55) ALDH1A1HTTHPGDRAB9APOLB
SCHEMBL18579396 0.81 ALDH1A1 (0.62) ALDH1A1HTTHPGDRAB9APOLB
SCHEMBL1369713 0.79 ALDH1A1 (0.61) ALDH1A1HTTHPGDRAB9APOLB
SCHEMBL10478078 0.79 RAB9A (0.60) ALDH1A1HTTHPGDRAB9AKMT2A
SCHEMBL12376683 0.79 ALDH1A1 (0.69) ALDH1A1HTTHPGDRAB9APOLB
SCHEMBL13753433 0.76 ALDH1A1 (0.60) ALDH1A1HTTHPGDRAB9APOLB
SCHEMBL13753321 0.75 ALDH1A1 (0.61) ALDH1A1HTTHPGDRAB9APOLB
SCHEMBL963723 0.74 HDAC1 (0.61) ALDH1A1HTTHPGDRAB9APOLB
SCHEMBL8760519 0.74 HDAC1 (0.56) ALDH1A1HTTHPGDRAB9APOLB
SCHEMBL27543881 0.74 ALDH1A1 (0.51) ALDH1A1HTTHPGDRAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107520-B1 POLYMERIZABLE DENTAL MATERIAL MUEHLBAUER TECH GMBH (DE) 2019-10-30 EP disclosed
US-10058487-B2 Polymerizable dental material MUHLBAUER TECHNOLOGY GMBH (DE) 2018-08-28 US disclosed
US-20170065496-A1 POLYMERIZABLE DENTAL MATERIAL MUHLBAUER TECHNOLOGY GMBH (DE) 2017-03-09 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 (2 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-10058487-B2 Polymerizable dental material EHD1, ESD, HPD ALDH1A1 335/4885HTT 246/4885HPGD 58/4885
US-20170065496-A1 POLYMERIZABLE DENTAL MATERIAL EHD1, ESD, HPD ALDH1A1 335/4885HTT 246/4885HPGD 58/4885

“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.