SCHEMBL13003199

SCHEMBL13003199

COOSc1ccc(/C=C/c2ccc(/C=C/c3ccc(NC(=O)OC(C)(C)C)cc3)c(OC)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
APP P05067 1/20 0.44
CYP1A1 P04798 5/20 0.41
CYP1B1 Q16678 5/20 0.41
CYP1A2 P05177 4/20 0.41
KDM4E B2RXH2 2/20 0.40
KDM1A O60341 3/20 0.39
TRPV1 Q8NER1 3/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HDAC4 P56524 1/20 0.37

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
SCHEMBL1974701 0.84 MAPT (0.48) MAPTAPPCYP1A1CYP1B1CYP1A2
SCHEMBL1974700 0.84 MAPT (0.48) MAPTAPPCYP1A1CYP1B1CYP1A2
SCHEMBL2636844 0.83 KDM4E (0.46) MAPTAPPKDM4EKDM1ATRPV1
SCHEMBL2636843 0.83 KDM4E (0.46) MAPTAPPKDM4EKDM1ATRPV1
SCHEMBL2636400 0.82 ACHE (0.48) MAPTAPPCYP1A1CYP1B1CYP1A2
SCHEMBL2636189 0.82 ACHE (0.48) MAPTAPPCYP1A1CYP1B1CYP1A2
SCHEMBL3760090 0.77 APP (0.38) MAPTAPPCYP1A1CYP1B1CYP1A2
SCHEMBL3760089 0.77 APP (0.38) MAPTAPPCYP1A1CYP1B1CYP1A2
SCHEMBL13003198 0.76 CYP19A1 (0.60) MAPTAPPCYP1A1CYP1B1CYP1A2
SCHEMBL13003197 0.75 CYP1A1 (0.50) MAPTAPPCYP1A1CYP1B1CYP1A2

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-20100310456-A1 IMAGING OF MYELIN BASIC PROTEIN GENERAL ELECTRIC COMPANY (US) 2010-12-09 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-20100310456-A1 IMAGING OF MYELIN BASIC PROTEIN MAG, PMP22, MYT1 MAPT 1129/4885APP 1205/4885CYP1A1 4874/4885

“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.