SCHEMBL18883201

SCHEMBL18883201

CC(C)(C(=O)c1ccc(Sc2ccc(O)cc2)cc1)N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
TSHR P16473 1/20 0.72
MAPK1 P28482 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
HRH3 Q9Y5N1 1/20 0.44
MGLL Q99685 5/20 0.42
ATM Q13315 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MAPT P10636 2/20 0.39
NR1H2 P55055 1/20 0.39
PRKDC P78527 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
MLYCD O95822 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL10884364 0.94 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL10889886 0.94 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL18883178 0.93 ALDH1A1 (0.63) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL9291268 0.91 ALDH1A1 (0.70) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL9679529 0.89 SMN1; SMN2 (0.72) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL1554157 0.89 ALDH1A1 (0.72) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL1553588 0.89 ALDH1A1 (0.72) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL1554443 0.89 ALDH1A1 (0.72) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL8176787 0.88 ALDH1A1 (0.71) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL10886640 0.85 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3

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 269/4885TSHR 4773/4885MAPK1 540/4885
US-10005851-B2 Polymerization initiator and radically polymerizable composition containing same CYBA, CCNT1, SPTBN1 ALDH1A1 165/4885TSHR 4808/4885MAPK1 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.