SCHEMBL268369

SCHEMBL268369

COc1cccc(CCC(C)N)c1OC

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA14 Q9ULX7 1/20 0.52
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
ABCB1 P08183 3/20 0.48
ABCG2 Q9UNQ0 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
CRHBP P24387 1/20 0.42
MAPK1 P28482 1/20 0.42
CRHR2 Q13324 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
SCHEMBL30392457 1.00 CA12 (0.52) CA12CA1CA2CA14SLC6A2
SCHEMBL13933354 0.86 CA12 (0.51) CA12CA1CA2CA14ABCB1
SCHEMBL267933 0.84 TAAR1 (0.61) CA12CA1CA2CA14SLC6A2
SCHEMBL30520870 0.84 TAAR1 (0.61) CA12CA1CA2CA14SLC6A2
SCHEMBL729393 0.83 KMT2A (0.55) TAAR1
Hydrochloric Acid SCHEMBL23524440 0.81 KMT2A (0.57)
SCHEMBL7331445 0.80 ALDH1A1 (0.51) CA12CA1CA2CA14ABCB1
Hydrochloric Acid SCHEMBL8959813 0.79 ALDH1A1 (0.50) CA12CA1CA2CA14ABCB1
SCHEMBL151944 0.79 TAAR1 (0.69) CA12CA1CA2CA14ABCB1
SCHEMBL30839502 0.79 TAAR1 (0.69) CA12CA1CA2CA14ABCB1

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 CA12 1560/4885CA1 1451/4885CA2 2167/4885

“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.