SCHEMBL268751

SCHEMBL268751

C[CH]CC(N)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALOX15 P16050 3/20 0.43
CYP2C9 P11712 3/20 0.43
SLC6A2 P23975 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
CYP2D6 P10635 2/20 0.43
MAPT P10636 2/20 0.43
CYP2C19 P33261 2/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
AR P10275 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
PTGS1 P23219 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL264970 0.79 ADRB2 (0.50) TDP1CYP2C9SLC6A2LMNACYP2D6
SCHEMBL7928876 0.79 DPP4 (0.41) SLC6A2SLC6A3ALDH1A1
SCHEMBL266309 0.78 SCN4A (0.45) TAAR1
SCHEMBL266150 0.77 ADRB1 (0.51) ESR1TDP1LMNACYP3A4DRD1
SCHEMBL265653 0.76 CYP1A2 (0.59) TDP1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL44113 0.76 ESR1 (0.60) ESR1TDP1ALOX15CYP2C9SLC6A2
SCHEMBL895763 0.76 ESR1 (0.60) ESR1TDP1ALOX15CYP2C9SLC6A2
SCHEMBL895990 0.76 ESR1 (0.60) ESR1TDP1ALOX15CYP2C9SLC6A2
SCHEMBL265124 0.75 PDE2A (0.39) TAAR1
Hydrochloric Acid SCHEMBL2364486 0.74 ESR1 (0.58) ESR1TDP1ALOX15CYP2C9SLC6A2

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 ESR1 4080/4885TDP1 786/4885ALOX15 2517/4885

“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.