SCHEMBL4664778

SCHEMBL4664778

O=C(Cc1c[nH]c2ccccc12)C1=C(O)C(CCCc2ccccc2)OC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC5R P33032 6/20 0.48
MC3R P41968 6/20 0.48
MC4R P32245 5/20 0.48
SLC6A2 P23975 1/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TACR1 P25103 2/20 0.43
LMNA P02545 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
TACR3 P29371 1/20 0.40

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
SCHEMBL4664717 0.94 SLC6A2 (0.50) MC5RMC3RMC4RSLC6A2FNTA
SCHEMBL4664812 0.87 SLC6A2 (0.52) MC5RMC3RMC4RSLC6A2FNTA
SCHEMBL4664712 0.84 CDK4 (0.47) MC5RMC3RMC4RSLC6A2FNTA
SCHEMBL4663364 0.81 MAPT (0.45) SLC6A2FNTAFNTBKMT2AMEN1
SCHEMBL4664787 0.81 TACR2 (0.50) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL4665106 0.78 MTNR1A (0.44) MC5RMC3RMC4RSLC6A2FNTA
SCHEMBL6029790 0.78 MAPT (0.42) SLC6A2FNTAFNTBKMT2AMEN1
SCHEMBL6029305 0.77 SLC6A2 (0.50) MC5RMC3RMC4RSLC6A2FNTA
SCHEMBL4664811 0.75 ALDH1A1 (0.40) FNTAFNTBMAPTALDH1A1KDM4E
SCHEMBL4664682 0.74 MAPT (0.51) KMT2AMEN1MAPTALDH1A1KDM4E

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 MC5R 1735/4885MC3R 2527/4885MC4R 3769/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 MC5R 1735/4885MC3R 2527/4885MC4R 3769/4885

“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.