SCHEMBL12366207

SCHEMBL12366207

CC1C=C(c2c(Cl)cccc2Cl)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
FABP4 P15090 2/20 0.40
TSHR P16473 1/20 0.37
TTR P02766 7/20 0.37
MCL1 Q07820 2/20 0.37
MRGPRX4 Q96LA9 4/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
KMT2A Q03164 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL12366040 0.92 TTR (0.39) TDP1FABP4TTRMCL1NPC1
SCHEMBL12366205 0.89 TDP1 (0.40) TDP1FABP4TSHRTTRMCL1
SCHEMBL12366174 0.87 TDP1 (0.41) TDP1FABP4TSHRTTRMCL1
SCHEMBL12366195 0.86 ALDH1A1 (0.41) TSHRMCL1MEN1NPC1RAB9A
SCHEMBL12366147 0.85 KMO (0.39) TDP1FABP4TSHRTTRMCL1
SCHEMBL12366132 0.85 TTR (0.43) TDP1TTRMRGPRX4MEN1RAB9A
SCHEMBL12366609 0.84 HTR2B (0.52)
SCHEMBL12365222 0.81 TDP1 (0.44) TDP1TTRMEN1NPC1TP53
SCHEMBL12366227 0.81 TDP1 (0.40) TDP1TSHRTTRMCL1NPC1
SCHEMBL12366204 0.81 SRD5A2 (0.46) TDP1TSHRTTRMCL1MRGPRX4

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 1914/4885TSHR 821/4885

“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.