SCHEMBL563229

SCHEMBL563229

COC(=O)c1ccccc1-c1cccc(-c2c(C)cccc2C)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.54
SLC6A3 Q01959 4/20 0.49
SLC6A4 P31645 3/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
MAPK10 P53779 1/20 0.49
KMT2A Q03164 1/20 0.49
PTK2B Q14289 1/20 0.49
NCOA1 Q15788 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
ALDH1A1 P00352 2/20 0.49
CFTR P13569 1/20 0.49
HSD17B10 Q99714 1/20 0.49
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR4 P22455 1/20 0.48

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
SCHEMBL2898209 0.89 MYC (0.54) MYCSLC6A3SLC6A4TSHRMEN1
SCHEMBL9549 0.83 SLC6A3 (0.57) MYCSLC6A3SLC6A4TSHRMEN1
SCHEMBL12724753 0.83 SLC6A3 (0.57) MYCSLC6A3SLC6A4TSHRMEN1
SCHEMBL69464 0.81 SLC6A3 (0.67) MYCSLC6A3SLC6A4TSHRMEN1
Bicarbonate SCHEMBL27492792 0.80 SLC6A3 (0.54) MYCSLC6A3SLC6A4TSHRMEN1
SCHEMBL19849652 0.79 TSHR (0.53) MYCSLC6A3SLC6A4TSHRMEN1
SCHEMBL29634134 0.79 TSHR (0.53) MYCSLC6A3SLC6A4TSHRMEN1
SCHEMBL24390974 0.79 TSHR (0.57) MYCSLC6A3SLC6A4TSHRMEN1
SCHEMBL30285193 0.79 SLC6A3 (0.58) MYCSLC6A3SLC6A4TSHRMEN1
SCHEMBL22256428 0.79 MAPT (0.54) MYCSLC6A3SLC6A4TSHRMEN1

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
EP-2423176-A1 CARBOXYLIC ACID COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 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-20120035196-A1 CARBOXYLIC ACID COMPOUND GPR119, GPR65, GPR55 MYC 703/4885SLC6A3 2017/4885SLC6A4 966/4885

“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.