SCHEMBL19086397

SCHEMBL19086397

O=C(OCCO)C(Br)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
CHRM1 P11229 7/20 0.44
CHRM3 P20309 6/20 0.44
CHRM2 P08172 5/20 0.44
CHRM4 P08173 4/20 0.44
CYP2D6 P10635 3/20 0.41
CYP1A2 P05177 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.40
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.39
SRC P12931 1/20 0.38

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
SCHEMBL2419442 0.84 LMNA (0.53) CES2CES1CHRM1CHRM3CHRM2
SCHEMBL535788 0.82 CES2 (0.51) CES2CES1CHRM1LMNAALDH1A1
SCHEMBL535789 0.82 CES2 (0.51) CES2CES1CHRM1LMNAALDH1A1
SCHEMBL2418494 0.82 TSHR (0.51) CES2CES1CHRM1CHRM3CHRM2
SCHEMBL2417875 0.81 TSHR (0.53) CES2CES1CHRM1CHRM3CHRM2
SCHEMBL19086403 0.81 CES2 (0.48) CES2CES1CHRM1CHRM3CHRM2
SCHEMBL10680751 0.80 CES2 (0.47) CES2CES1CHRM1CHRM3CHRM2
SCHEMBL26785147 0.80 CES2 (0.47) CES2CES1CHRM1CHRM3CHRM2
SCHEMBL821932 0.79 LMNA (0.52) CES2CES1CHRM1CHRM3CHRM2
SCHEMBL13846306 0.79 CES2 (0.55) CES2CES1CHRM1CHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3190131-B1 LIVING RADICAL POLYMERIZATION INITIATOR, METHOD FOR PRODUCING POLYMER, AND POLYMER UNIV KYOTO (JP) 2020-07-29 EP disclosed
CN-106604938-B Living radical polymerization initiator, method for producing polymer, and polymer 国立大学法人京都大学 2020-03-31 CN disclosed
US-10414848-B2 Living radical polymerization initiator, method for producing polymer, and polymer KYOTO UNIVERSITY (JP) 2019-09-17 US disclosed
US-20170306073-A1 LIVING RADICAL POLYMERIZATION INITIATOR, METHOD FOR PRODUCING POLYMER, AND POLYMER KYOTO UNIVERSITY (JP) 2017-10-26 US disclosed
EP-3190131-A1 LIVING RADICAL POLYMERIZATION INITIATOR, METHOD FOR PRODUCING POLYMER, AND POLYMER Kyoto University (JP) 2017-07-12 EP 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-10414848-B2 Living radical polymerization initiator, method for producing polymer, and polymer CCNY, MTR, PARN CES2 255/4885CES1 1362/4885CHRM1 558/4885
US-20170306073-A1 LIVING RADICAL POLYMERIZATION INITIATOR, METHOD FOR PRODUCING POLYMER, AND POLYMER CCNY, MTR, PARN CES2 255/4885CES1 1362/4885CHRM1 558/4885

“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.