SCHEMBL4664710

SCHEMBL4664710

O=C(Cn1c2ccccc2c2ccccc21)C1=C(O)C(CC2CCCCC2)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.41
CNR1 P21554 3/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSPO P30536 1/20 0.37
CRY1 Q16526 2/20 0.37
CRY2 Q49AN0 2/20 0.37
GLA P06280 1/20 0.36
PER2 O15055 2/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL4664859 0.82 LMNA (0.45) LMNATP53KMT2ATSHRHSD17B10
SCHEMBL4662982 0.79 TP53 (0.42) MEN1LMNATP53KMT2AKDM4E
SCHEMBL4664996 0.79 LMNA (0.40) MEN1LMNATP53CRHBPHTT
SCHEMBL4664733 0.76 BCHE (0.41) MEN1LMNATP53CRHBPHTT
SCHEMBL4664878 0.74 MTNR1A (0.42) MEN1LMNATP53CRHBPHTT
SCHEMBL4664684 0.74 PTPN1 (0.43) MEN1LMNATP53HTTKMT2A
SCHEMBL4665106 0.74 MTNR1A (0.44) MEN1LMNAHTTKMT2AKDM4E
SCHEMBL4663002 0.74 LMNA (0.44) MEN1LMNATP53CRHBPHTT
SCHEMBL4664963 0.74 HTT (0.43) MEN1LMNATP53CRHBPHTT
SCHEMBL4663221 0.74 RXFP1 (0.51) CNR2MEN1LMNATP53HTT

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 CNR2 3325/4885CNR1 2161/4885MEN1 1292/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CNR2 3325/4885CNR1 2161/4885MEN1 1292/4885

“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.