SCHEMBL12366147

SCHEMBL12366147

CC1C=C(c2cccc(Cl)c2F)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FABP4 P15090 1/20 0.35
MCL1 Q07820 2/20 0.35
CSNK2A1 P68400 1/20 0.35
TTR P02766 5/20 0.34
NOTUM Q6P988 1/20 0.34
TSHR P16473 1/20 0.34
PTPRC P08575 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
RORC P51449 1/20 0.33
F11 P03951 1/20 0.33
KLKB1 P03952 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
SCHEMBL12366205 0.89 TDP1 (0.40) MRGPRX4TDP1FABP4MCL1TTR
SCHEMBL12366143 0.88 TDP1 (0.39) TDP1CSNK2A1TTRPTPRC
SCHEMBL12366174 0.88 TDP1 (0.41) TDP1FABP4MCL1TTRTSHR
SCHEMBL12366140 0.88 KLKB1 (0.40) KLKB1
SCHEMBL12366277 0.87 TDP1 (0.39) MRGPRX4TDP1TTRPTPRC
SCHEMBL12366207 0.85 TDP1 (0.41) MRGPRX4TDP1FABP4MCL1TTR
SCHEMBL12366040 0.85 TTR (0.39) TDP1FABP4MCL1TTRRORC
SCHEMBL12366597 0.85 HTR2B (0.46)
SCHEMBL12390325 0.84 LMNA (0.42) MRGPRX4TDP1TTRTSHR
SCHEMBL12365912 0.83 TDP1 (0.41) TDP1TTRPTPRC

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 3 patents. 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
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 US disclosed
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E KMO 920/4885MRGPRX4 2358/4885TDP1 378/4885

“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.