SCHEMBL4664757

SCHEMBL4664757

O=C(CC1c2ccccc2CCc2ccccc21)C1=C(O)C(CCc2ccccc2)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HTR2A P28223 4/20 0.36
HRH1 P35367 3/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 2/20 0.35
PTPN1 P18031 1/20 0.34
ACP1 P24666 1/20 0.34
CDC25B P30305 1/20 0.34
RET P07949 1/20 0.34
CHRNA7 P36544 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
SCHEMBL4663307 0.87 ALDH1A1 (0.43) MAPTALDH1A1HSD17B10PTPN1ACP1
SCHEMBL4665140 0.84 CYP2D6 (0.45) MAPTALDH1A1HTR2AHSD17B10L3MBTL1
SCHEMBL4664735 0.81 ALDH1A1 (0.41) MAPTALDH1A1HSD17B10PTPN1ACP1
SCHEMBL4662962 0.81 HTR2A (0.39) MAPTALDH1A1HTR2AHRH1PTPN1
SCHEMBL4664811 0.81 ALDH1A1 (0.40) MAPTALDH1A1L3MBTL1PTPN1ACP1
SCHEMBL4664703 0.78 HTR2A (0.37) MAPTALDH1A1HTR2AHRH1PTPN1
SCHEMBL4663008 0.78 EPHX2 (0.47) EPHX2PTPN1ACP1CDC25B
SCHEMBL4664944 0.78 PTPN1 (0.44) MAPTALDH1A1PTPN1ACP1CDC25B
SCHEMBL4664852 0.76 TDP1 (0.49) MAPTALDH1A1L3MBTL1PTPN1ACP1
SCHEMBL4666748 0.75 ALDH1A1 (0.44) MAPTALDH1A1HSD17B10PTPN1ACP1

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 MAPT 74/4885ALDH1A1 2826/4885HTR2A 2974/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 MAPT 74/4885ALDH1A1 2826/4885HTR2A 2974/4885

“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.