SCHEMBL216493

SCHEMBL216493

CCCCCOCC(C)(C)C=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.44
CES2 O00748 2/20 0.40
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LPAR1 Q92633 2/20 0.34
LPAR3 Q9UBY5 2/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL342032 0.98 CES1 (0.47) CES1CES2MEN1THRBHTT
SCHEMBL2925106 0.98 CES1 (0.47) CES1CES2MEN1THRBHTT
SCHEMBL341903 0.98 CES1 (0.47) CES1CES2MEN1THRBHTT
SCHEMBL11220391 0.98 CES1 (0.47) CES1CES2MEN1THRBHTT
SCHEMBL2846235 0.94 TSHR (0.38) CES1CES2MEN1THRBHTT
SCHEMBL342451 0.89 FAAH (0.48) CES1LPAR1LPAR3
SCHEMBL342453 0.89 FAAH (0.48) CES1LPAR1LPAR3
SCHEMBL2843425 0.85 HSD17B10 (0.30)
SCHEMBL21682800 0.80 RAD52 (0.37) CES1CES2RAD52NPSR1LPAR1
SCHEMBL1318668 0.79 CES1 (0.48) CES1CES2MEN1THRBHTT

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651875-B1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECH AG (CH) 2017-08-30 EP claimed
CN-103261145-B There is the amine of secondary aliphatic amino group SIKA TECHNOLOGY AG (CH) 2016-04-13 CN claimed
US-9290603-B2 Amines having secondary aliphatic amino groups SIKA TECHNOLOGY AG (CH) 2016-03-22 US claimed
EP-2651875-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS Sika Technology AG (CH) 2013-10-23 EP claimed
US-20130237681-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2013-09-12 US claimed
CN-103261145-A Amines having secondary aliphatic amino groups SIKA TECHNOLOGY AG 2013-08-21 CN claimed
WO-2012080264-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2012-06-21 WO claimed
EP-2465842-A1 Amines with secondary aliphatic amines Sika Technology AG (CH) 2012-06-20 EP claimed
EP-2651875-B1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECH AG (CH) 2017-08-30 EP disclosed
CN-103261145-B There is the amine of secondary aliphatic amino group SIKA TECHNOLOGY AG (CH) 2016-04-13 CN disclosed
US-9290603-B2 Amines having secondary aliphatic amino groups SIKA TECHNOLOGY AG (CH) 2016-03-22 US disclosed
EP-2651875-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS Sika Technology AG (CH) 2013-10-23 EP disclosed
US-20130237681-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2013-09-12 US disclosed
CN-103261145-A Amines having secondary aliphatic amino groups SIKA TECHNOLOGY AG 2013-08-21 CN disclosed
EP-1772447-A1 Aldimines with reactive groups comprising active hydrogen, and their use Sika Technology AG (CH) 2007-04-11 EP disclosed
WO-2007036572-A1 COMPOUNDS CONTAINING ALDIMINE SIKA TECHNOLOGY AG (CH) 2007-04-05 WO disclosed
WO-2007036574-A1 MOISTURE-HARDENED POLYURETHANE COMPOSITIONS CONTAINING COMPOUNDS COMPRISING ALDIMINE SIKA TECHNOLOGY AG (CH) 2007-04-05 WO disclosed
WO-2007036571-A1 ALDIMINES COMPRISING REACTIVE GROUPS CONTAINING ACTIVE HYDROGEN, AND USE THEREOF SIKA TECHNOLOGY AG (CH) 2007-04-05 WO disclosed
EP-1770107-A1 Polyurethane composition curable by humidity Sika Technology AG (CH) 2007-04-04 EP disclosed
EP-1760100-A1 Isocyanate group containing adducts and compositions having good adhesion on coated substrates Sika Technology AG (CH) 2007-03-07 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-20130237681-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS AAAS, PNMT, PARG CES1 4112/4885CES2 1167/4885MEN1 3165/4885

“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.