SCHEMBL12366174

SCHEMBL12366174

CC1C=C(c2ccccc2Cl)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
TTR P02766 2/20 0.40
PTPRC P08575 2/20 0.39
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
MAP4K4 O95819 1/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
PLA2G7 Q13093 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GSK3B P49841 1/20 0.36
FABP4 P15090 1/20 0.35
ALOX5 P09917 1/20 0.35
MCL1 Q07820 2/20 0.35

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
SCHEMBL12366205 0.91 TDP1 (0.40) TDP1TTRPTPRCTSHRFABP4
SCHEMBL12366147 0.88 KMO (0.39) TDP1TTRPTPRCTSHRFABP4
SCHEMBL12366207 0.87 TDP1 (0.41) TDP1TTRKMT2ATSHRMEN1
SCHEMBL12366163 0.86 KMT2A (0.42) KMT2APOLBTSHRMEN1ALDH1A1
SCHEMBL12366204 0.86 SRD5A2 (0.46) TDP1TTRPOLBTSHRALDH1A1
SCHEMBL12366227 0.86 TDP1 (0.40) TDP1TTRTSHRALDH1A1KDM4E
SCHEMBL12365227 0.86 TDP1 (0.42) TDP1TTRPTPRCKMT2APOLB
SCHEMBL12365912 0.85 TDP1 (0.41) TDP1TTRPTPRCKMT2APOLB
SCHEMBL12366177 0.84 TDP1 (0.39) TDP1TTRTSHRSRD5A2
SCHEMBL12365222 0.84 TDP1 (0.44) TDP1TTRPTPRCKMT2APOLB

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 378/4885TTR 3588/4885PTPRC 3006/4885

“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.