SCHEMBL18883176

SCHEMBL18883176

COc1ccc(Sc2ccc(C(=O)C3(N4CCOCC4)CCCCC3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 2/20 0.42
POLB P06746 3/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
FKBP1A P62942 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL9681734 0.93 CYP3A4 (0.54) CYP3A4CYP2C19ALDH1A1MAPTUSP2
SCHEMBL10456871 0.92 CYP3A4 (0.55) CYP3A4CYP2C19ALDH1A1MAPTUSP2
SCHEMBL10458477 0.86 ALDH1A1 (0.53) CYP3A4CYP2C19ALDH1A1MAPTUSP2
SCHEMBL10456898 0.86 ALDH1A1 (0.53) CYP3A4CYP2C19ALDH1A1MAPTUSP2
SCHEMBL18883169 0.86 LMNA (0.39) CYP3A4CYP2C19ALDH1A1MAPTKMT2A
SCHEMBL274970 0.84 SMN1; SMN2 (0.51) CYP3A4CYP2C19ALDH1A1MAPTKMT2A
SCHEMBL10458501 0.82 CYP3A4 (0.48) CYP3A4CYP2C19ALDH1A1MAPTUSP2
SCHEMBL10458478 0.81 FKBP1A (0.51) CYP2C19ALDH1A1MAPTUSP2KMT2A
SCHEMBL10458636 0.79 THRB (0.44) CYP3A4CYP2C19ALDH1A1MAPTKMT2A
SCHEMBL10458820 0.78 HRH3 (0.46) ALDH1A1MAPTKMT2AKDM4ELMNA

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
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

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 CYP3A4 675/4885CYP2C19 137/4885ALDH1A1 269/4885
US-10005851-B2 Polymerization initiator and radically polymerizable composition containing same CYBA, CCNT1, SPTBN1 CYP3A4 778/4885CYP2C19 207/4885ALDH1A1 165/4885

“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.