SCHEMBL20409010

SCHEMBL20409010

COCCOc1cc(C)cc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
MAOA P21397 1/20 0.33
DYRK1A Q13627 1/20 0.33
SYK P43405 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL325261 0.88 SOD1 (0.39) ALDH1A1HPGDMAOADYRK1ASYK
SCHEMBL3440051 0.86 MEN1 (0.49) MEN1KMT2ATP53ALOX15ALDH1A1
SCHEMBL19399855 0.86 MEN1 (0.45) MEN1KMT2ATP53ALOX15ALDH1A1
SCHEMBL17197212 0.82 KDM4E (0.41) MAOADYRK1AKDM4E
SCHEMBL19121172 0.82 ELANE (0.43) KMT2ATP53ALOX15ALDH1A1MAPT
SCHEMBL2212312 0.82 TP53 (0.41) TP53ALOX15ALDH1A1MAPTHPGD
SCHEMBL8283580 0.81 DRD2 (0.41) TP53ALOX15ALDH1A1DRD2DRD4
SCHEMBL13021583 0.80 MEN1 (0.45) MEN1KMT2ATP53ALOX15ALDH1A1
SCHEMBL13413138 0.80 KDM4E (0.42) MEN1KMT2ATP53ALOX15ALDH1A1
SCHEMBL4604583 0.80 ALDH1A1 (0.46) MEN1KMT2ATP53ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20180212274-A1 Process for Preparing Unipolar Cation-Conducting Ionomers from Difluoro Ionic Monomers INF2, ORAI1, ASIC1 MEN1 345/4885KMT2A 2613/4885TP53 3198/4885

“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.