SCHEMBL4663002

SCHEMBL4663002

O=C(CC1c2ccccc2-c2ccccc21)C1=C(O)C(CC2CCCCC2)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
RECQL P46063 2/20 0.44
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36
PTPN1 P18031 2/20 0.34
MAPT P10636 2/20 0.34
ACP1 P24666 1/20 0.34
CDC25B P30305 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN2 P17706 1/20 0.34
DUSP3 P51452 1/20 0.34
HPSE Q9Y251 1/20 0.34
CYP1A2 P05177 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
SCHEMBL4664996 0.83 LMNA (0.40) LMNARECQLMEN1KMT2ATP53
SCHEMBL4666748 0.79 ALDH1A1 (0.44) LMNARECQLTSHRALDH1A1HSD17B10
SCHEMBL4664733 0.77 BCHE (0.41) LMNARECQLALDH1A1MEN1KMT2A
SCHEMBL4663307 0.77 ALDH1A1 (0.43) LMNARECQLTSHRALDH1A1HSD17B10
SCHEMBL4664878 0.75 MTNR1A (0.42) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4664684 0.75 PTPN1 (0.43) LMNARECQLTSHRALDH1A1HSD17B10
SCHEMBL4664735 0.75 ALDH1A1 (0.41) RECQLTSHRALDH1A1HSD17B10PTPN1
SCHEMBL4664710 0.74 CNR2 (0.41) LMNATSHRALDH1A1HSD17B10MEN1
SCHEMBL4666665 0.73 PTPN1 (0.47) LMNARECQLTSHRALDH1A1HSD17B10
SCHEMBL4665106 0.73 MTNR1A (0.44) LMNAALDH1A1MEN1KMT2AHTT

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 8 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
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO 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
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO 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 LMNA 1625/4885RECQL 3276/4885TSHR 412/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 LMNA 1625/4885RECQL 3276/4885TSHR 412/4885

“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.