SCHEMBL12366277

SCHEMBL12366277

Cc1cccc(C2=CC(C)Oc3ccc(C(=O)O)cc32)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
TYMS P04818 1/20 0.37
NR1H4 Q96RI1 3/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
TTR P02766 3/20 0.35
PTPRC P08575 2/20 0.34
POLB P06746 3/20 0.33
KMT2A Q03164 3/20 0.33
TBXA2R P21731 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33

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
SCHEMBL12366143 0.89 TDP1 (0.39) TDP1TTRPTPRCPOLBKMT2A
SCHEMBL12365227 0.88 TDP1 (0.42) TDP1TYMSNR1H4TTRPTPRC
SCHEMBL12366242 0.87 IL2 (0.38) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL12366147 0.87 KMO (0.39) TDP1MRGPRX4TTRPTPRC
SCHEMBL12390325 0.85 LMNA (0.42) TDP1MRGPRX4TTRKMT2AKDM4E
SCHEMBL12366228 0.85 TTR (0.40) TDP1TYMSNR1H4MRGPRX4TTR
SCHEMBL12366620 0.85 HTR2B (0.46)
SCHEMBL12365912 0.84 TDP1 (0.41) TDP1TTRPTPRCPOLBKMT2A
SCHEMBL12366273 0.82 TDP1 (0.39) TDP1MRGPRX4POLBKMT2AKDM4E
SCHEMBL12366309 0.82 TDP1 (0.39) TDP1MRGPRX4KDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 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 (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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E TDP1 378/4885TYMS 3575/4885NR1H4 223/4885

“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.