SCHEMBL12366132

SCHEMBL12366132

CC1C=C(c2c(F)cccc2F)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.43
TDP1 Q9NUW8 1/20 0.41
RORC P51449 2/20 0.36
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
MAOA P21397 1/20 0.35
BLVRB P30043 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DPP4 P27487 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPRC P08575 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
MAPK14 Q16539 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
SCHEMBL12366228 0.93 TTR (0.40) TTRTDP1RORCMAOABLVRB
SCHEMBL12366040 0.92 TTR (0.39) TTRTDP1RORCRAB9AALDH1A1
SCHEMBL12365552 0.90 TDP1 (0.41) TTRTDP1MAPK1LMNAHTT
SCHEMBL12366025 0.90 TDP1 (0.41) TTRTDP1MAPK1LMNAHTT
SCHEMBL12366046 0.90 TDP1 (0.41) TTRTDP1MAPK1LMNAHTT
SCHEMBL12390324 0.90 LMNA (0.44) TTRTDP1RORCMAPK1LMNA
SCHEMBL12366301 0.89 TTR (0.36) TTRTDP1RORCMAPK1LMNA
SCHEMBL12389997 0.89 RORC (0.37) TTRTDP1RORCDPP4NOTUM
SCHEMBL12366261 0.88 TDP1 (0.39) TTRTDP1MAPK1LMNAHTT
SCHEMBL12366143 0.88 TDP1 (0.39) TTRTDP1MAPK1LMNAHTT

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 2 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

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 3588/4885TDP1 378/4885RORC 3551/4885

“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.