SCHEMBL4662962

SCHEMBL4662962

CC(C)CC1OC(=O)C(C(=O)CC2c3ccccc3CCc3ccccc32)=C1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 5/20 0.37
PRCP P42785 1/20 0.37
PTPN1 P18031 5/20 0.35
ACP1 P24666 4/20 0.35
CDC25B P30305 4/20 0.35
RET P07949 1/20 0.35
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN2 P17706 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
SCHEMBL4664703 0.90 HTR2A (0.37) HTR2ACHRM1DRD2ADRA2BADRA2C
SCHEMBL4665125 0.84 PTPN1 (0.35) MAPTPTPN1ACP1CDC25BRECQL
SCHEMBL4664757 0.81 MAPT (0.39) HTR2AHRH1MAPTPTPN1ACP1
SCHEMBL4663032 0.78 PTPN1 (0.40) MAPTPTPN1ACP1CDC25BRECQL
SCHEMBL4664751 0.75 CDC25B (0.43) MAPTPTPN1ACP1CDC25BRECQL
SCHEMBL4666814 0.75 PTPN1 (0.33) MAPTPTPN1ACP1CDC25BRECQL
SCHEMBL4664770 0.73 PTPN1 (0.39) MAPTPTPN1ACP1CDC25BRECQL
SCHEMBL4663317 0.73 PTPN1 (0.44) MAPTPTPN1ACP1CDC25BRECQL
SCHEMBL4662974 0.73 ALOX5 (0.45) HTR2AHTR2CMAPTPTPN1ACP1
SCHEMBL4665112 0.72 HPGD (0.39) MAPTPTPN1ACP1CDC25BRECQL

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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US claimed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US claimed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 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 (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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 HTR2A 2974/4885CHRM1 36/4885DRD2 3357/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 HTR2A 2974/4885CHRM1 36/4885DRD2 3357/4885

“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.