SCHEMBL12366145

SCHEMBL12366145

CC1C=C(c2cc(F)ccc2F)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
PTGER1 P34995 1/20 0.37
KIF11 P52732 4/20 0.35
MAPK14 Q16539 1/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
AKR1B1 P15121 4/20 0.34
DHODH Q02127 1/20 0.34
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4A O75164 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
GRK6 P43250 1/20 0.33
HCRTR2 O43614 1/20 0.33
NOTUM Q6P988 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
SCHEMBL12365914 0.90 KDM4A (0.40) TDP1MAPK14MAPK1LMNAHTT
SCHEMBL12366273 0.89 TDP1 (0.39) TDP1MAPK14AKR1B1ALDH1A1
SCHEMBL12366031 0.89 TDP1 (0.39) TDP1PTGER1MAPK1LMNAHTT
SCHEMBL12366182 0.87 TDP1 (0.42) TDP1PTGER1MAPK1LMNAHTT
SCHEMBL12366139 0.87 PARP1 (0.40) MAPK14MAPK1LMNAHTTRAB9A
SCHEMBL12366309 0.86 TDP1 (0.39) TDP1MAPK14AKR1B1ALDH1A1KDM5A
SCHEMBL12365912 0.86 TDP1 (0.41) TDP1PTGER1MAPK1LMNAHTT
SCHEMBL12389148 0.86 LMNA (0.46) TDP1MAPK1LMNAHTTRAB9A
SCHEMBL12366274 0.86 KDM4E (0.44) TDP1MAPK1LMNAHTTRAB9A
SCHEMBL12366177 0.85 TDP1 (0.39) TDP1AKR1B1HCRTR2

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 378/4885PTGER1 2325/4885KIF11 3113/4885

“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.