SCHEMBL18883181

SCHEMBL18883181

CCN(CC)c1ccc(Sc2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
MAPK1 P28482 2/20 0.53
TSHR P16473 1/20 0.53
FKBP1A P62942 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 5/20 0.36
MAPT P10636 5/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SLC16A3 O15427 1/20 0.36
ALOX15 P16050 1/20 0.36
SLC16A1 P53985 1/20 0.36
GBA1 P04062 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 2/20 0.33

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
SCHEMBL18883182 0.86 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL9679472 0.82 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL10889886 0.77 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2MAPK1TSHRFKBP1A
SCHEMBL10884364 0.77 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2MAPK1TSHRFKBP1A
SCHEMBL1554157 0.75 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MAPK1TSHRFKBP1A
SCHEMBL10888087 0.74 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL21024705 0.72 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL9679529 0.72 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2MAPK1TSHRFKBP1A
SCHEMBL1554443 0.72 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MAPK1TSHRFKBP1A
SCHEMBL18883201 0.72 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005851-B2 Polymerization initiator and radically polymerizable composition containing same ADEKA CORPORATION (JP) 2018-06-26 US disclosed
US-10005851-B2 Polymerization initiator and radically polymerizable composition containing same ADEKA CORPORATION (JP) 2018-06-26 US disclosed
US-20170145121-A1 NOVEL POLYMERIZATION INITIATOR AND RADICALLY POLYMERIZABLE COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2017-05-25 US disclosed
US-20170145121-A1 NOVEL POLYMERIZATION INITIATOR AND RADICALLY POLYMERIZABLE COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2017-05-25 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-20170145121-A1 NOVEL POLYMERIZATION INITIATOR AND RADICALLY POLYMERIZABLE COMPOSITION CONTAINING SAME CYBA, CCNT1, CCNA1 ALDH1A1 269/4885SMN1; SMN2 2012/4885MAPK1 540/4885
US-10005851-B2 Polymerization initiator and radically polymerizable composition containing same CYBA, CCNT1, SPTBN1 ALDH1A1 165/4885SMN1; SMN2 1607/4885MAPK1 585/4885

“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.