SCHEMBL4664737

SCHEMBL4664737

O=C(Cc1ccc2ccccc2c1)C1=C(O)C(CCCN2CCOCC2)OC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP13 P45452 1/20 0.39
F10 P00742 1/20 0.38
F7 P08709 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL4663356 0.88 ALDH1A1 (0.46) POLBL3MBTL1KMT2ASIGMAR1ALDH1A1
SCHEMBL4665102 0.83 ALDH1A1 (0.41) CYP2C19POLBKMT2AKDM4EALDH1A1
SCHEMBL4664875 0.79 POLB (0.52) POLBL3MBTL1KMT2ASIGMAR1ALDH1A1
SCHEMBL4666706 0.78 ALOX5 (0.43) CYP1A2KMT2ASIGMAR1
SCHEMBL4666623 0.78 FKBP1A (0.49) SIGMAR1KDM4EALDH1A1
SCHEMBL4664758 0.78 ALDH1A1 (0.42) CYP2D6CYP2C19KMT2AKDM4EALDH1A1
SCHEMBL4664956 0.77 ALDH1A1 (0.47) CYP2D6L3MBTL1KMT2AKDM4EALDH1A1
SCHEMBL4664954 0.77 ALDH1A1 (0.41) CYP2C19L3MBTL1ALDH1A1TSHRMAOA
SCHEMBL4664948 0.77 MAPK1 (0.47) L3MBTL1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4663352 0.77 CNR1 (0.45) CYP1A2CYP2C19L3MBTL1KMT2AKDM4E

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 6 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
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 CYP1A2 2117/4885CYP2D6 2202/4885CYP2C19 1751/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CYP1A2 2117/4885CYP2D6 2202/4885CYP2C19 1751/4885

“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.