SCHEMBL9891078

SCHEMBL9891078

CC=CCn1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
GRIA4 P48058 1/20 0.47
GRIK5 Q16478 1/20 0.47
KMT2A Q03164 1/20 0.44
TK1 P04183 11/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
TK2 O00142 1/20 0.39
POLB P06746 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
SCHEMBL19196342 0.81 TK1 (0.62) TK1TK2
SCHEMBL9891076 0.81 TK1 (0.62) TK1TK2
SCHEMBL2559163 0.81 KDM4E (0.50) LMNAKDM4ECYP1A2GRIA1GRIA2
SCHEMBL9891079 0.80 GRIA1 (0.47) GRIA1GRIA2GRIA4GRIK5TK1
SCHEMBL9891080 0.80 ALDH1A1 (0.47) CYP1A2GRIA1GRIA2GRIA4GRIK5
SCHEMBL17791229 0.79 CYP1A2 (0.49) LMNAKDM4ECYP1A2GRIA1GRIA2
SCHEMBL9803023 0.77 LMNA (0.58) LMNAKDM4ECYP1A2GRIA1GRIA2
SCHEMBL17278323 0.77 KDM4E (0.53) LMNAKDM4ECYP1A2GRIA1GRIA2
SCHEMBL14480450 0.77 KDM4E (0.47) LMNAKDM4ECYP1A2GRIA1GRIA2
SCHEMBL11400618 0.74 KDM4E (0.54) LMNAKDM4ECYP1A2GRIA1GRIA2

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-8785629-B2 Phosphonates synthons for the synthesis of phosphonates derivatives showing better bioavailability CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-07-22 US disclosed
US-8785629-B2 Phosphonates synthons for the synthesis of phosphonates derivatives showing better bioavailability CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-07-22 US disclosed
US-20120142897-A1 PHOSPHONATES SYNTHONS FOR THE SYNTHESIS OF PHOSPHONATES DERIVATIVES SHOWING BETTER BIOAVAILABILITY UNIVERSITE D'ORLEANS (FR) 2012-06-07 US disclosed
US-20120142897-A1 PHOSPHONATES SYNTHONS FOR THE SYNTHESIS OF PHOSPHONATES DERIVATIVES SHOWING BETTER BIOAVAILABILITY UNIVERSITE D'ORLEANS (FR) 2012-06-07 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-20120142897-A1 PHOSPHONATES SYNTHONS FOR THE SYNTHESIS OF PHOSPHONATES DERIVATIVES SHOWING BETTER BIOAVAILABILITY PNP, PHPT1, TYMP LMNA 2189/4885KDM4E 4549/4885CYP1A2 732/4885

“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.