SCHEMBL4664878

SCHEMBL4664878

O=C(Cc1csc2ccccc12)C1=C(O)C(CC2CCCCC2)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
OPRM1 P35372 2/20 0.42
OPRK1 P41145 2/20 0.42
UTS2R Q9UKP6 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
TP53 P04637 3/20 0.36
CYP2A6 P11509 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CHRNA7 P36544 1/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
JUN P05412 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4665106 0.80 MTNR1A (0.44) MTNR1ASMN1; SMN2MEN1LMNAHTT
SCHEMBL4662982 0.78 TP53 (0.42) TP53MEN1LMNAKMT2AMAPT
SCHEMBL4663002 0.75 LMNA (0.44) TP53CRHBPCRHR2MEN1LMNA
SCHEMBL4664963 0.75 HTT (0.43) SMN1; SMN2TP53CRHBPCRHR2MEN1
SCHEMBL4664710 0.74 CNR2 (0.41) TP53CRHBPCRHR2MEN1LMNA
SCHEMBL4664996 0.73 LMNA (0.40) TP53CRHBPCRHR2MEN1LMNA
SCHEMBL4664733 0.73 BCHE (0.41) OPRK1TP53CRHBPCRHR2MEN1
SCHEMBL4662965 0.73 KCNH2 (0.38) MTNR1ATP53MEN1LMNAKMT2A
SCHEMBL4663221 0.72 RXFP1 (0.51) SMN1; SMN2TP53RXFP1MEN1LMNA
SCHEMBL4662956 0.72 MTNR1A (0.47) MTNR1ASMN1; SMN2MEN1HTTKMT2A

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 MTNR1A 766/4885OPRM1 2641/4885OPRK1 3730/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 MTNR1A 766/4885OPRM1 2641/4885OPRK1 3730/4885

“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.