SCHEMBL12366205

SCHEMBL12366205

CC1C=C(c2cccc(Cl)c2Cl)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
FABP4 P15090 1/20 0.37
TTR P02766 8/20 0.36
MCL1 Q07820 2/20 0.36
TSHR P16473 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
PTPRC P08575 2/20 0.35
SLC6A3 Q01959 1/20 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
SCHEMBL12366174 0.91 TDP1 (0.41) TDP1FABP4TTRMCL1TSHR
SCHEMBL12366147 0.89 KMO (0.39) TDP1FABP4TTRMCL1TSHR
SCHEMBL12366207 0.89 TDP1 (0.41) TDP1FABP4TTRMCL1TSHR
SCHEMBL12366189 0.87 SLC6A3 (0.46) SLC6A3
SCHEMBL12366608 0.84 HTR2B (0.48)
SCHEMBL12366040 0.83 TTR (0.39) TDP1FABP4TTRMCL1
SCHEMBL12366227 0.82 TDP1 (0.40) TDP1TTRMCL1TSHR
SCHEMBL12366204 0.82 SRD5A2 (0.46) TDP1TTRMCL1TSHRMRGPRX4
SCHEMBL12365227 0.82 TDP1 (0.42) TDP1TTRMCL1PTPRC
SCHEMBL12366131 0.82 DHODH (0.38) TDP1TTRPTPRC

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 378/4885FABP4 1914/4885TTR 3588/4885

“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.