SCHEMBL13158249

SCHEMBL13158249

CC(=O)C(C(=O)OC(C)(C)C)C(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PTPN1 P18031 1/20 0.40
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2D6 P10635 1/20 0.38
ATM Q13315 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37

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
SCHEMBL11262310 0.85 KMT2A (0.59) L3MBTL1TDP1ALDH1A1CYP3A4KMT2A
SCHEMBL11269251 0.82 KMT2A (0.48) L3MBTL1TDP1ALDH1A1CYP3A4KMT2A
SCHEMBL8747488 0.80 L3MBTL1 (0.42) L3MBTL1TDP1ALDH1A1CYP3A4KMT2A
SCHEMBL7043298 0.79 L3MBTL1 (0.55) L3MBTL1TDP1ALDH1A1CYP3A4KMT2A
SCHEMBL9292700 0.78 AAK1 (0.45) L3MBTL1TDP1ALDH1A1CYP3A4KMT2A
SCHEMBL636115 0.78 AAK1 (0.47) L3MBTL1TDP1ALDH1A1CYP3A4KMT2A
SCHEMBL27513958 0.78 L3MBTL1 (0.47) L3MBTL1TDP1ALDH1A1CYP3A4KMT2A
SCHEMBL28837744 0.77 DPP4 (0.41) L3MBTL1ALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL4526758 0.76 KMT2A (0.46) L3MBTL1ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL24851748 0.74 KMT2A (0.52) L3MBTL1ALDH1A1KMT2ASMN1; SMN2NPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 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 (1 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 L3MBTL1 4819/4885TDP1 3740/4885ALDH1A1 1908/4885

“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.