SCHEMBL4929443

SCHEMBL4929443

CC(C)(C)OC(=O)NC1CCC(NC(=O)OCc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
GAA P10253 1/20 0.62
TSHR P16473 1/20 0.60
KMT2A Q03164 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KDM1A O60341 1/20 0.55
MAOB P27338 1/20 0.55
EPHX1 P07099 1/20 0.53
TLR4 O00206 1/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
ACHE P22303 2/20 0.52
SYK P43405 1/20 0.51
CPB1 P15086 1/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
DRD2 P14416 2/20 0.49
DPP4 P27487 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL2291956 1.00 ALDH1A1 (0.62) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL14010470 1.00 ALDH1A1 (0.62) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL4929457 1.00 ALDH1A1 (0.62) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL1864036 0.95 KMT2A (0.63) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL16523966 0.95 KMT2A (0.63) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL2670623 0.95 KMT2A (0.63) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL6370475 0.95 KMT2A (0.63) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL12667212 0.95 KMT2A (0.63) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL3944460 0.95 ALDH1A1 (0.69) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL3944464 0.95 ALDH1A1 (0.69) ALDH1A1GAATSHRKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 US disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 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-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor MCHR1, GPR119, MCHR2 ALDH1A1 1549/4885GAA 601/4885TSHR 166/4885
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 ALDH1A1 2069/4885GAA 266/4885TSHR 271/4885

“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.