SCHEMBL1887928

SCHEMBL1887928

CC(CC(=O)O)(NCCc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.50
HIF1A Q16665 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
RECQL P46063 1/20 0.46
ESRRG P62508 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP2C9 P11712 2/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
MMP8 P22894 1/20 0.43
CA12 O43570 1/20 0.42

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
SCHEMBL27527269 0.87 RAB9A (0.52) CYP2C19HIF1ANPC1RAB9ACYP1A2
SCHEMBL1930180 0.79 NPC1 (0.46) CYP2C19NPC1RAB9AMAPTCYP1A2
SCHEMBL9711508 0.76 CYP2C19 (0.60) CYP2C19HIF1ARAB9APOLBMAPT
SCHEMBL6231282 0.74 ATM (0.52) CYP2C19NPC1RAB9AMAPTCYP1A2
SCHEMBL1144525 0.73 CYP2C19 (0.56) CYP2C19HIF1APOLBMAPTCYP1A2
SCHEMBL11865312 0.73 NPC1 (0.47) CYP2C19NPC1RAB9APOLBMAPT
SCHEMBL11863319 0.72 NPC1 (0.53) CYP2C19NPC1RAB9APOLBMAPT
SCHEMBL7443634 0.72 NPC1 (0.56) CYP2C19NPC1RAB9APOLBMAPT
SCHEMBL1878859 0.72 KEAP1 (0.50) NPC1RAB9AMAPTDRD2DRD4
SCHEMBL6958948 0.72 KMT2A (0.54) CYP2C19HIF1ANPC1RAB9APOLB

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
EP-2050738-B1 NOVEL IMIDAZOLIDINONE DERIVATIVE, METHOD OF PRODUCING THE SAME AND METHOD OF PRODUCING OPTICALLY ACTIVE AMINO ACID KANEKA CORP (JP) 2013-07-10 EP disclosed
US-7947722-B2 Imidazolidinone derivative, method of producing the same and method of producing optically active amino acid KANEKA CORPORATION (JP) 2011-05-24 US disclosed
US-20090209768-A1 NOVEL IMIDAZOLIDINONE DERIVATIVE, METHOD OF PRODUCING THE SAME AND METHOD OF PRODUCING OPTICALLY ACTIVE AMINO ACID KANEKA CORPORATION (JP) 2009-08-20 US disclosed
EP-2050738-A1 NOVEL IMIDAZOLIDINONE DERIVATIVE, METHOD OF PRODUCING THE SAME AND METHOD OF PRODUCING OPTICALLY ACTIVE AMINO ACID Kaneka Corporation (JP) 2009-04-22 EP 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-20090209768-A1 NOVEL IMIDAZOLIDINONE DERIVATIVE, METHOD OF PRODUCING THE SAME AND METHOD OF PRODUCING OPTICALLY ACTIVE AMINO ACID DAO, RCC2, AADAT CYP2C19 1264/4885HIF1A 4345/4885NPC1 3635/4885

“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.