SCHEMBL2018660

SCHEMBL2018660

CCNCC(=O)NCCOC(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.32
POLB P06746 2/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
EPHX1 P07099 1/20 0.31
GAA P10253 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL2018659 0.73 ALDH1A1 (0.36) ALDH1A1TDP1TSHRGAA
Trifluoroacetic Acid SCHEMBL28340710 0.72 MCL1 (0.41) ALDH1A1KDM4EPOLBEPHX1
SCHEMBL2016710 0.71 KMT2A (0.38) ALDH1A1POLBGAA
SCHEMBL18602384 0.70 MCL1 (0.54) ALDH1A1KDM4EPOLBTSHRL3MBTL1
SCHEMBL8956928 0.70 MEN1 (0.37) ALDH1A1TDP1KDM4EPOLBTSHR
SCHEMBL24453194 0.70 MEN1 (0.38) ALDH1A1TDP1KDM4EPOLB
Trifluoroacetic Acid SCHEMBL31245497 0.70 DNM1 (0.44) ALDH1A1KDM4EMAPK1
Hydrochloric Acid SCHEMBL2021168 0.70 KMT2A (0.37) ALDH1A1TDP1POLBGAA
SCHEMBL2019891 0.69 CNR1 (0.42) ALDH1A1TDP1
SCHEMBL14813162 0.69 KMT2A (0.39) ALDH1A1POLBTP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US disclosed
EP-2190838-A1 CANNABINOID RECEPTOR LIGANDS AstraZeneca AB (SE) 2010-06-02 EP disclosed
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 US disclosed
WO-2009024819-A1 CANNABINOID RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2009-02-26 WO 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 (2 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-20090062251-A1 Novel Compounds 002 OPRL1, OPRK1, OPRM1 ALDH1A1 517/4885TDP1 3699/4885KDM4E 2054/4885
US-20110160180-A1 Cannabinoid Receptor Ligands CNR1, CNR2, OPRL1 ALDH1A1 2240/4885TDP1 4423/4885KDM4E 1752/4885

“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.