SCHEMBL2247231

SCHEMBL2247231

CC(O)CN(CC(C)(C)C=O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 6/20 0.38
ADH1C P00326 4/20 0.38
ADH1B P00325 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL810839 0.78 ADH1C (0.38) ADH1AADH1CADH1BCYP1A2CYP2D6
SCHEMBL11622032 0.78 ADH1C (0.38) ADH1AADH1CADH1BCYP1A2CYP2D6
SCHEMBL11626207 0.78 ADH1C (0.38) ADH1AADH1CADH1BCYP1A2CYP2D6
SCHEMBL12810164 0.73 ADH1A (0.38) ADH1AADH1CADH1BCYP1A2CYP2D6
SCHEMBL16822345 0.73 ADH1A (0.38) ADH1AADH1CADH1BCYP1A2CYP2D6
SCHEMBL16822357 0.73 ADH1A (0.38) ADH1AADH1CADH1BCYP1A2CYP2D6
SCHEMBL543417 0.72 ADH1A (0.45) ADH1AADH1CADH1B
SCHEMBL2231395 0.71 KDM4E (0.33)
SCHEMBL16822339 0.71 ADH1C (0.35) ADH1AADH1CADH1BCYP1A2CYP2D6
SCHEMBL4343391 0.71 EPHX1 (0.33) CYP1A2CYP2D6CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101778814-B There is the aldehyde of hydroxyl SIKA技术股份公司 2016-08-03 CN disclosed
US-8389772-B2 Aldehydes containing hydroxl groups SIKA TECHNOLOGY AG (CH) 2013-03-05 US disclosed
US-20110195242-A1 ALDEHYDES CONTAINING HYDROXL GROUPS SIKA TECHNOLOGY AG (CH) 2011-08-11 US disclosed
CN-101778814-A aldehydes containing hydroxyl groups SIKA TECHNOLOGY AG 2010-07-14 CN disclosed
EP-2200970-A1 ALDEHYDES CONTAINING HYDROXYL GROUPS Sika Technology AG (CH) 2010-06-30 EP disclosed
WO-2009027510-A1 ALDEHYDES CONTAINING HYDROXYL GROUPS SIKA TECHNOLOGY AG (CH) 2009-03-05 WO disclosed
EP-2030965-A1 Aldehydes containing hydroxyl groups Sika Technology AG (CH) 2009-03-04 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-20110195242-A1 ALDEHYDES CONTAINING HYDROXL GROUPS ALDH7A1, ALDH1A1, AOX1 ADH1A 128/4885ADH1C 236/4885ADH1B 148/4885

“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.