SCHEMBL4663302

SCHEMBL4663302

COc1ccc(CCCC(=O)C2=C(O)C(CCc3ccccc3)OC2=O)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.52
PLAAT5 Q96KN8 1/20 0.52
PLAAT2 Q9NWW9 1/20 0.52
PLAAT4 Q9UL19 1/20 0.52
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALOX5 P09917 1/20 0.46
PDE4D Q08499 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.43
EBP Q15125 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4664852 0.86 TDP1 (0.49) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A
SCHEMBL4664800 0.85 ALDH1A1 (0.44) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL4664736 0.82 ALDH1A1 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL4665077 0.82 TSHR (0.43) NPC1RAB9AKMT2APOLBSIGMAR1
SCHEMBL4662996 0.82 NPC1 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL4664694 0.81 CDC25B (0.48) ALDH1A1NPC1RAB9A
SCHEMBL4666680 0.81 PLAAT3 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL4662958 0.80 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2TDP1ALOX5KMT2A
SCHEMBL4664944 0.79 PTPN1 (0.44) ALDH1A1TDP1NPC1RAB9AKDM4E
SCHEMBL4662964 0.78 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A

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 PLAAT3 2828/4885PLAAT5 1189/4885PLAAT2 1686/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 PLAAT3 2828/4885PLAAT5 1189/4885PLAAT2 1686/4885

“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.