SCHEMBL12366177

SCHEMBL12366177

CC1C=C(c2ccc(F)cc2Cl)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
PYGL P06737 3/20 0.38
AKR1B1 P15121 3/20 0.36
TSHR P16473 1/20 0.35
TTR P02766 1/20 0.35
HTR7 P34969 1/20 0.34
HCRTR2 O43614 1/20 0.34
RARA P10276 3/20 0.33
RARB P10826 3/20 0.33
RARG P13631 3/20 0.33
SRD5A2 P31213 2/20 0.33
ROCK2 O75116 1/20 0.33
NR3C2 P08235 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 0.88 KDM4A (0.40) TDP1AKR1B1TTRRARB
SCHEMBL12366204 0.88 SRD5A2 (0.46) TDP1TSHRTTRSRD5A2
SCHEMBL12366165 0.87 PARP1 (0.39)
SCHEMBL12366309 0.87 TDP1 (0.39) TDP1AKR1B1HTR7
SCHEMBL12366145 0.85 TDP1 (0.40) TDP1AKR1B1HCRTR2
SCHEMBL12366601 0.85 HTR5A (0.49) HTR7
SCHEMBL12366273 0.84 TDP1 (0.39) TDP1AKR1B1TSHRHTR7
SCHEMBL12366174 0.84 TDP1 (0.41) TDP1TSHRTTRSRD5A2
SCHEMBL12390332 0.84 LMNA (0.43) TDP1PYGLTSHRHTR7
SCHEMBL12366009 0.83 SRD5A2 (0.40) TDP1TSHRTTRSRD5A2

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 378/4885PYGL 4343/4885AKR1B1 740/4885

“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.