SCHEMBL6565852

SCHEMBL6565852

COCCOc1ccc(CC#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
ACACB O00763 1/20 0.43
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
FLT3 P36888 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
APP P05067 4/20 0.39
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP3 P08254 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
SCHEMBL17215124 0.90 GAA (0.43) PKMMAPTALDH1A1FLT3GAA
SCHEMBL4996156 0.88 PKM (0.40) PKMACACBFLT3KDM4ERECQL
SCHEMBL1823685 0.83 LTA4H (0.48) KDM4E
SCHEMBL7774589 0.83 LMNA (0.49) ACACBMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL6656162 0.83 PKM (0.44) PKMFLT3APPGAAL3MBTL1
SCHEMBL5514418 0.82 HRH3 (0.44) GAA
SCHEMBL9570661 0.82 HRH3 (0.44) GAA
SCHEMBL6574603 0.81 GAA (0.56) PKMMAPTALDH1A1FLT3GAA
SCHEMBL29194698 0.80 KDM4E (0.47) ALDH1A1KDM4EGAAMMP3
SCHEMBL30245956 0.80 KDM4E (0.47) ALDH1A1KDM4EGAAMMP3

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
EP-1123913-B1 Process for preparing 2-methoxyethoxybenzenes and new 2-methoxyethoxybenzyl cyanides BAYER CHEMICALS AG (DE) 2004-04-07 EP disclosed
US-6288262-B2 REACTION OF PHENOL WITH 2-CHLOROETHYL METHYL ETHER WITHOUT POLAR SOLVENT BAYER AKTIENGESELLSCHAFT (DE) 2001-09-11 US disclosed
EP-1123913-A2 Process for preparing 2-methoxyethoxybenzenes and new 2-methoxyethoxybenzyl cyanides BAYER AG (DE) 2001-08-16 EP disclosed
US-20010014697-A1 Process for the preparation of 2-methoxyethoxy-benzenes and novel 2-methoxyethoxy-benzyl cyanides LANXESS DEUTSCHLAND GMBH (DE) 2001-08-16 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 (1 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-20010014697-A1 Process for the preparation of 2-methoxyethoxy-benzenes and novel 2-methoxyethoxy-benzyl cyanides TET2, CYCS, TYR PKM 2179/4885ACACB 813/4885MAPT 3465/4885

“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.