SCHEMBL18413331

SCHEMBL18413331

CC1C(C#N)=C(C#N)C(C#N)=C1C#N

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL14580923 0.71
SCHEMBL1457371 0.69
SCHEMBL8645927 0.63 LMNA (0.31) ALDH1A1HPGDHSD17B10
SCHEMBL12433065 0.62 LMNA (0.34) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL15780395 0.52
SCHEMBL615573 0.51 MEN1 (0.31) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL8645928 0.48 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9812290 0.48 ALOX15 (0.30) MEN1GAAALOX15KMT2A
SCHEMBL57168 0.44 ALDH1A1 (0.47) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL24389986 0.43

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-10826118-B2 Process for preparing unipolar cation-conducting ionomers from difluoro ionic monomers CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-11-03 US disclosed
EP-3326229-B1 PROCESS FOR PREPARING IONOMERS OF UNIPOLAR CATIONIC CONDUCTIVITY FROM DIFLUORIDE IONIC MONOMERS CENTRE NAT RECH SCIENT (FR) 2020-05-27 EP disclosed
US-20180212274-A1 Process for Preparing Unipolar Cation-Conducting Ionomers from Difluoro Ionic Monomers CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-07-26 US disclosed
WO-2017013375-A1 PROCESS FOR PREPARING IONOMERS OF UNIPOLAR CATIONIC CONDUCTIVITY FROM DIFLUORIDE IONIC MONOMERS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-01-26 WO 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-20180212274-A1 Process for Preparing Unipolar Cation-Conducting Ionomers from Difluoro Ionic Monomers INF2, ORAI1, ASIC1 KDM4E 3993/4885MEN1 345/4885ALDH1A1 1405/4885
US-10826118-B2 Process for preparing unipolar cation-conducting ionomers from difluoro ionic monomers INF2, ORAI1, ASIC1 KDM4E 3993/4885MEN1 345/4885ALDH1A1 1405/4885

“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.