SCHEMBL14215864

SCHEMBL14215864

Cc1ccccc1[C@H](COC(N)=O)OC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2D6 P10635 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.38
HTT P42858 1/20 0.35
NR3C2 P08235 1/20 0.34
ALOX15 P16050 1/20 0.34
ACP3 P15309 1/20 0.34

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
SCHEMBL23347786 0.84 ALDH1A1 (0.41) ALDH1A1ESR1NR3C2ACP3
SCHEMBL8741030 0.81 CYP1A2 (0.46) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL12561078 0.81 CYP1A2 (0.46) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL14215866 0.81 CYP1A2 (0.49) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL18769696 0.80 PPARG (0.41) LMNAKDM4EALDH1A1ESR1NR3C2
SCHEMBL8392855 0.77 SMN1; SMN2 (0.53) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL8392854 0.77 SMN1; SMN2 (0.53) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL6362689 0.77 CYP1A2 (0.66) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL669484 0.75 ALDH1A1 (0.44) KDM4EALDH1A1ESR1NR3C2ACP3
SCHEMBL13871693 0.75 CASP1 (0.41) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1

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-20080103198-A1 METHODS FOR TREATMENT OF COCHLEAR AND VESTIBULAR DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-01 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-20080103198-A1 METHODS FOR TREATMENT OF COCHLEAR AND VESTIBULAR DISORDERS SLC26A4, C1R, C1S CYP1A2 2905/4885SMN1; SMN2 1688/4885CYP2D6 3001/4885

“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.