SCHEMBL16263153

SCHEMBL16263153

CC(C)(C)Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.57
GGPS1 O95749 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
EPHB4 P54760 3/20 0.52
TEK Q02763 2/20 0.52
KDR P35968 4/20 0.52
ALOX5 P09917 3/20 0.50
SRC P12931 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL12251051 0.97 CYP19A1 (0.60) CYP19A1GGPS1NPC1RAB9AEPHB4
SCHEMBL16263158 0.87 MEN1 (0.50) CYP19A1GGPS1NPC1RAB9AEPHB4
SCHEMBL19387183 0.86 CYP19A1 (0.53) CYP19A1GGPS1NPC1RAB9AEPHB4
SCHEMBL16263156 0.84 HSP90AA1 (0.63) CYP19A1GGPS1NPC1RAB9AEPHB4
SCHEMBL16263163 0.84 ALOX5 (0.52) CYP19A1GGPS1NPC1RAB9AEPHB4
SCHEMBL16206209 0.84 CYP19A1 (0.57) CYP19A1GGPS1NPC1RAB9AEPHB4
SCHEMBL18922484 0.83 HSP90AA1 (0.63) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL18625822 0.83 CYP19A1 (0.55) CYP19A1GGPS1NPC1RAB9AEPHB4
SCHEMBL22530280 0.82 SRC (0.53) GGPS1NPC1RAB9AALOX5SRC
SCHEMBL16264704 0.81 CYP19A1 (0.62) CYP19A1GGPS1NPC1RAB9AEPHB4

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 5 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-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 CYP19A1 2213/4885GGPS1 244/4885NPC1 196/4885
US-20140349954-A1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION MLN, TMSB10, TMSB4X CYP19A1 2573/4885GGPS1 376/4885NPC1 428/4885

“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.