SCHEMBL266527

SCHEMBL266527

COc1ccc(CCC(C)=O)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAOA P21397 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
POLB P06746 1/20 0.54
APLNR P35414 1/20 0.53
PKM P14618 1/20 0.52
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CNR1 P21554 2/20 0.48
MTNR1A P48039 1/20 0.48

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
SCHEMBL10784792 0.88 POLB (0.55) NPC1RAB9APOLBAPLNRPKM
SCHEMBL490637 0.87 POLB (0.71) NPC1RAB9ACYP1A2POLBAPLNR
SCHEMBL11077966 0.87 MTNR1A (0.62) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL585472 0.85 APLNR (0.56) NPC1RAB9APOLBAPLNRPKM
SCHEMBL2398226 0.85 POLB (0.53) NPC1RAB9APOLBAPLNRPKM
SCHEMBL28028759 0.85 MTNR1A (0.59) NPC1RAB9APOLBAPLNRPKM
SCHEMBL30488628 0.85 MEN1 (0.45) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL21222822 0.85 MEN1 (0.45) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL11576234 0.84 POLB (0.51) NPC1RAB9APOLBAPLNRPKM
SCHEMBL7194960 0.84 RAB9A (0.72) NPC1RAB9AMAPTLMNATP53

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-8431378-B2 Aminotransferase, gene encoding the same, and methods of using them KANEKA CORPORATION (JP) 2013-04-30 US disclosed
US-20120164724-A1 NOVEL AMINOTRANSFERASE, GENE ENCODING THE SAME, AND METHODS OF USING THEM KANEKA CORPORATION (JP) 2012-06-28 US disclosed
US-8133705-B2 Aminotransferase, gene encoding the same, and method of using them KANEKA CORPORATION (JP) 2012-03-13 US disclosed
US-20100285544-A1 Novel aminotransferase, gene encoding the same, and method of using them KANEKA CORPORATION (JP) 2010-11-11 US disclosed
EP-1889907-B1 NOVEL AMINO GROUP TRANSFERASE, GENE ENCODING THE SAME AND METHOD OF USING THE SAME KANEKA CORP (JP) 2009-09-02 EP disclosed
EP-1889907-A1 NOVEL AMINO GROUP TRANSFERASE, GENE ENCODING THE SAME AND METHOD OF USING THE SAME Kaneka Corporation (JP) 2008-02-20 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-20100285544-A1 Novel aminotransferase, gene encoding the same, and method of using them BCAT1, AGXT, ALDH7A1 NPC1 1862/4885RAB9A 4169/4885MAPT 2725/4885

“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.