SCHEMBL12366209

SCHEMBL12366209

CC1C=C(c2ccc(F)c(F)c2)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ERN1 O75460 1/20 0.36
HPSE Q9Y251 1/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
RARB P10826 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
BCL9 O00512 2/20 0.34
CTNNB1 P35222 2/20 0.34
CES2 O00748 1/20 0.34

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
SCHEMBL12365904 0.87 BCL2L1 (0.45) TDP1KDM5AKDM4CKDM5BLMNA
SCHEMBL12366197 0.87 ERN1 (0.41) ERN1RAB9AMEN1KMT2A
SCHEMBL12366182 0.85 TDP1 (0.42) TDP1LMNAKDM4EHSD17B10MAPK1
SCHEMBL12366611 0.84 HTR2B (0.39)
SCHEMBL12365222 0.83 TDP1 (0.44) TDP1KDM4EHSD17B10MAPK1RAB9A
SCHEMBL12366145 0.82 TDP1 (0.40) TDP1KDM5AKDM4CKDM5BLMNA
SCHEMBL12366172 0.82 TDP1 (0.38) TDP1MAPK1RARBRARARARG
SCHEMBL12366031 0.81 TDP1 (0.39) TDP1LMNAMAPK1HTTRAB9A
SCHEMBL12366132 0.81 TTR (0.43) TDP1LMNAKDM4EMAPK1HTT
SCHEMBL12365912 0.81 TDP1 (0.41) TDP1LMNAKDM4EMAPK1HTT

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 TDP1 378/4885KDM5A 246/4885KDM4C 1796/4885

“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.