SCHEMBL16263167

SCHEMBL16263167

CCCCCOc1ccc(-c2cn(CC(C)(C)C)nn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.47
CYP19A1 P11511 5/20 0.47
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 4/20 0.47
CYP1A2 P05177 3/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
ATM Q13315 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
CYP3A4 P08684 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
SCHEMBL5053642 0.85 CYP19A1 (0.50) CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2
SCHEMBL5049451 0.84 CYP19A1 (0.54) CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2
SCHEMBL18922484 0.82 HSP90AA1 (0.63) NPC1RAB9AHSP90AA1HSP90AB1MEN1
SCHEMBL28525427 0.79 CYP19A1 (0.60) CYP19A1L3MBTL1NPC1RAB9AATM
SCHEMBL16263158 0.77 MEN1 (0.50) CYP19A1NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL16263156 0.75 HSP90AA1 (0.63) CYP19A1L3MBTL1NPC1RAB9AHSP90AA1
SCHEMBL16263153 0.75 CYP19A1 (0.57) CYP19A1NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL16263163 0.75 ALOX5 (0.52) CYP19A1L3MBTL1NPC1RAB9AHSP90AA1
SCHEMBL12251051 0.74 CYP19A1 (0.60) CYP19A1NPC1RAB9AMEN1KMT2A
SCHEMBL5051923 0.74 HDAC3 (0.64) L3MBTL1NPC1RAB9AHSP90AA1HSP90AB1

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
US-9771389-B2 Tylosin derivatives and method for preparation thereof THE KITASAKO INSTITUTE (JP) 2017-09-26 US disclosed
US-9593140-B2 Antibacterial tylosin derivatives and methods for their preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-14 US disclosed
US-20160108077-A1 TYLOSIN DERIVATIVES AND METHOD FOR PREPARATION THEREOF THE KITASAKO INSTITUTE (JP) 2016-04-21 US disclosed
US-20140349954-A1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION ELANCO ANIMAL HEALTH GMBH (DE) 2014-11-27 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-20160108077-A1 TYLOSIN DERIVATIVES AND METHOD FOR PREPARATION THEREOF TMSB10, MLN, TMSB4X CYP2D6 627/4885CYP19A1 2213/4885CYP2C9 436/4885
US-20140349954-A1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION MLN, TMSB10, TMSB4X CYP2D6 927/4885CYP19A1 2573/4885CYP2C9 867/4885

“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.