SCHEMBL4666877

SCHEMBL4666877

O=C(Cc1ccc2ccccc2c1)C1=C(O)C(CCc2ccccc2)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
NR0B1 P51843 1/20 0.39
CYP1A2 P05177 1/20 0.39
DAO P14920 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
AKR1B1 P15121 1/20 0.36
FFAR1 O14842 1/20 0.36
NLRP3 Q96P20 1/20 0.36
SOX18 P35713 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MMP13 P45452 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
SCHEMBL4664683 0.88 NR0B1 (0.45) NR0B1AKR1B1LMNASMN1; SMN2L3MBTL1
SCHEMBL4241441 0.79 NR0B1 (0.48) NR0B1LMNASMN1; SMN2L3MBTL1
SCHEMBL4664915 0.78 NPC1 (0.48) ALOX5NR0B1LMNASMN1; SMN2
SCHEMBL4666706 0.78 ALOX5 (0.43) ALOX5CYP1A2SIGMAR1NR1H4AKR1B1
SCHEMBL4664820 0.76 NR0B1 (0.42) NR0B1LMNASMN1; SMN2L3MBTL1
SCHEMBL4663049 0.76 NR0B1 (0.38) NR0B1DAOLMNASMN1; SMN2L3MBTL1
SCHEMBL4664777 0.76 KMT2A (0.47) NR0B1LMNASMN1; SMN2L3MBTL1
SCHEMBL4662985 0.75 RAB9A (0.46) DAOFFAR1
SCHEMBL6029305 0.75 SLC6A2 (0.50) CYP1A2SIGMAR1LMNASMN1; SMN2
SCHEMBL4664917 0.74 NR0B1 (0.46) NR0B1LMNASMN1; SMN2L3MBTL1

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 4 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
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 ALOX5 1340/4885NR0B1 106/4885CYP1A2 2117/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ALOX5 1340/4885NR0B1 106/4885CYP1A2 2117/4885

“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.