SCHEMBL18883172

SCHEMBL18883172

COc1ccc(Sc2ccc(C(=O)C(C)(C)N3CCCC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 3/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
PTGIR P43119 2/20 0.49
MGLL Q99685 1/20 0.47
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL9681651 0.91 HPGD (0.58) ALDH1A1SMN1; SMN2HPGDTSHRMAPK1
SCHEMBL9681617 0.90 HPGD (0.57) ALDH1A1SMN1; SMN2HPGDL3MBTL1TP53
SCHEMBL18883164 0.88 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HPGDTSHRMAPK1
SCHEMBL9680468 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDTSHRMAPK1
SCHEMBL18883184 0.82 HRH3 (0.47) ALDH1A1SMN1; SMN2HPGDTSHRMAPK1
SCHEMBL20305916 0.81 ELANE (0.44) ALDH1A1SMN1; SMN2HPGDTSHRMAPK1
SCHEMBL20305915 0.80 ABCB1 (0.45) ALDH1A1SMN1; SMN2HPGDTSHRMAPK1
SCHEMBL9681715 0.80 NPSR1 (0.54) ALDH1A1SMN1; SMN2HPGDTSHRMAPK1
SCHEMBL9679674 0.79 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2HPGDTSHRMAPK1
SCHEMBL11263701 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDTSHRMAPK1

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 2012/4885HPGD 2887/4885
US-10005851-B2 Polymerization initiator and radically polymerizable composition containing same CYBA, CCNT1, SPTBN1 ALDH1A1 165/4885SMN1; SMN2 1607/4885HPGD 2839/4885

“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.