SCHEMBL12366274

SCHEMBL12366274

COc1ccc(F)c(C2=CC(C)Oc3ccc(C(=O)O)cc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ABCB1 P08183 1/20 0.40
AR P10275 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
STIM1 Q13586 2/20 0.40
ORAI1 Q96D31 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL12366243 0.90 CA1 (0.40) KDM4EALDH1A1MAPK1GAAMAPT
SCHEMBL12366145 0.86 TDP1 (0.40) ALDH1A1MAPK1LMNAHTTRAB9A
SCHEMBL12366623 0.85 SLC9A1 (0.41) KDM4EALDH1A1MAPK1GAAMAPT
SCHEMBL12366201 0.85 LMNA (0.45) KDM4EALDH1A1MAPK1GAAMAPT
SCHEMBL12366031 0.85 TDP1 (0.39) MAPK1ALOX15TSHRARLMNA
SCHEMBL12366182 0.83 TDP1 (0.42) KDM4EALDH1A1MAPK1GAATSHR
SCHEMBL12365912 0.82 TDP1 (0.41) KDM4EALDH1A1MAPK1GAALMNA
SCHEMBL12389148 0.80 LMNA (0.46) MAPK1TSHRLMNAHTTRAB9A
SCHEMBL12390332 0.80 LMNA (0.43) KDM4EMAPK1TSHRLMNAHTT
SCHEMBL12366186 0.79 TDP1 (0.41) ALDH1A1MAPK1TSHRLMNAHTT

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 KDM4E 1455/4885ALDH1A1 934/4885MAPK1 3710/4885

“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.