SCHEMBL16263166

SCHEMBL16263166

CC(C)(C)Cn1cc(C(C)(C)O)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMPD1 P17405 4/20 0.36
JAK2 O60674 2/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
NTRK1 P04629 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
MET P08581 1/20 0.35
PDGFRB P09619 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35

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
SCHEMBL9889133 0.84 HRH4 (0.45) SMPD1MDM4TP53MDM2HRH4
SCHEMBL16264805 0.82 AR (0.42) ARCYP1A2CYP2C19SMPD1JAK2
SCHEMBL20001411 0.79 SMPD1 (0.49) ARCYP1A2CYP2C19SMPD1NEU4
SCHEMBL14037186 0.78 NEU4 (0.40) ARCYP1A2CYP2C19SMPD1JAK2
SCHEMBL20670743 0.78 AR (0.37) ARCYP1A2CYP2C19SMPD1JAK2
SCHEMBL18367607 0.77 HRH4 (0.43) ARCYP1A2CYP2C19SMPD1MDM4
SCHEMBL23081491 0.77 SMPD1 (0.57) ARCYP1A2CYP2C19SMPD1HRH4
SCHEMBL616778 0.74 SMPD1 (0.67) SMPD1HRH4HRH3
SCHEMBL10065573 0.74 NR1H4 (0.42) ARCYP1A2CYP2C19SMPD1NTRK1
SCHEMBL2193198 0.74 CYP19A1 (0.53) HRH4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190023732-A1 OLIGONUCLEOTIDES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-01-24 US disclosed
EP-2782922-B1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION BAYER IP GMBH (DE) 2017-12-20 EP disclosed
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 (3 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 AR 3983/4885CYP1A2 158/4885CYP2C19 648/4885
US-20140349954-A1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION MLN, TMSB10, TMSB4X AR 3948/4885CYP1A2 976/4885CYP2C19 879/4885
US-20190023732-A1 OLIGONUCLEOTIDES NSUN3, DCLRE1B, TRDMT1 AR 3834/4885CYP1A2 4741/4885CYP2C19 4792/4885

“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.