SCHEMBL13639814

SCHEMBL13639814

C=C(C)C(=O)OC1CCC(C(=O)OCCCC)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.40
THRB P10828 1/20 0.38
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
NAAA Q02083 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 2/20 0.34
EPHX2 P34913 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 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
SCHEMBL16329456 0.86 MAPT (0.47) TSHRALDH1A1THRBMAPTMAPK1
SCHEMBL812979 0.81 ALDH1A1 (0.52) TSHRALDH1A1MAPTHPGDNAAA
SCHEMBL813357 0.81 ALDH1A1 (0.52) TSHRALDH1A1MAPTHPGDNAAA
SCHEMBL526157 0.81 ALDH1A1 (0.52) TSHRALDH1A1MAPTHPGDNAAA
SCHEMBL552606 0.81 ALDH1A1 (0.52) TSHRALDH1A1MAPTHPGDNAAA
SCHEMBL12376747 0.81 THRB (0.33) ALDH1A1THRBMAPT
SCHEMBL1296295 0.80 MAPT (0.49) TSHRALDH1A1MAPTHPGDNAAA
SCHEMBL10290651 0.79 ALDH1A1 (0.42) TSHRALDH1A1MAPTHPGDNAAA
SCHEMBL880000 0.78 ALDH1A1 (0.50) TSHRALDH1A1HPGDNAAAL3MBTL1
SCHEMBL13739316 0.78 ALDH1A1 (0.50) TSHRALDH1A1HPGDNAAAL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520579-B1 A silicone compound, photocurable liquid ink using the silicone compound, and method of manufacturing the ink RICOH CO LTD (JP) 2015-08-05 EP disclosed
US-8871861-B2 Silicone compound, photocurable liquid ink using the silicone compound, and method of manufacturing the ink RICOH COMPANY, LTD. (JP) 2014-10-28 US disclosed
US-8871861-B2 Silicone compound, photocurable liquid ink using the silicone compound, and method of manufacturing the ink RICOH COMPANY, LTD. (JP) 2014-10-28 US disclosed
US-20120283378-A1 A SILICONE COMPOUND, PHOTOCURABLE LIQUID INK USING THE SILICONE COMPOUND, AND METHOD OF MANUFACTURING THE INK RICOH COMPANY, LTD., (JP) 2012-11-08 US disclosed
EP-2520579-A2 A silicone compound, photocurable liquid ink using the silicone compound, and method of manufacturing the ink Ricoh Company, Ltd. (JP) 2012-11-07 EP 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-20120283378-A1 A SILICONE COMPOUND, PHOTOCURABLE LIQUID INK USING THE SILICONE COMPOUND, AND METHOD OF MANUFACTURING THE INK DOT1L, L3MBTL3, KDM7A TSHR 3732/4885ALDH1A1 2204/4885THRB 4064/4885

“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.