SCHEMBL12366228

SCHEMBL12366228

Cc1cccc(F)c1C1=CC(C)Oc2ccc(C(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
TYMS P04818 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAPK14 Q16539 4/20 0.35
DPP4 P27487 1/20 0.34
RORC P51449 3/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
MYC P01106 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
MAOA P21397 1/20 0.33
BLVRB P30043 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL12366132 0.93 TTR (0.43) TTRTDP1MAPK14DPP4RORC
SCHEMBL12366211 0.88 IL2 (0.41) MAPK14
SCHEMBL12366040 0.87 TTR (0.39) TTRTDP1MAPK14RORC
SCHEMBL12366307 0.86 TDP1 (0.38) TTRTDP1MAPK14MRGPRX4
SCHEMBL12366614 0.86 HTR5A (0.48)
SCHEMBL12390324 0.85 LMNA (0.44) TTRTDP1RORCMRGPRX4
SCHEMBL12366277 0.85 TDP1 (0.39) TTRTYMSTDP1MRGPRX4MYC
SCHEMBL12389997 0.84 RORC (0.37) TTRTDP1DPP4RORCMRGPRX4
SCHEMBL12366301 0.84 TTR (0.36) TTRTDP1DPP4RORCMAOA
SCHEMBL12366143 0.83 TDP1 (0.39) TTRTDP1DPP4MAOABLVRB

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 TTR 3588/4885TYMS 3575/4885TDP1 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.