SCHEMBL9921220

SCHEMBL9921220

NCCOCCOCCOCC(=O)NCCOCCOCCCCCCCl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
NCF1 P14598 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLP1R P43220 5/20 0.33
CA2 P00918 2/20 0.33
GAA P10253 1/20 0.33
FAAH O00519 1/20 0.33
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRB2 P07550 1/20 0.32
HTR1A P08908 1/20 0.32
TLR2 O60603 2/20 0.32
ENO1 P06733 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL22207996 1.00 HRH3 (0.37) HRH3TSHRRECQLNCF1ALDH1A1
SCHEMBL22207898 1.00 HRH3 (0.37) HRH3TSHRRECQLNCF1ALDH1A1
SCHEMBL22208023 1.00 HRH3 (0.37) HRH3TSHRRECQLNCF1ALDH1A1
SCHEMBL16094632 0.88 FAAH (0.40) HRH3TSHRALDH1A1SMN1; SMN2CA2
SCHEMBL21549536 0.88 FAAH (0.40) HRH3TSHRALDH1A1SMN1; SMN2CA2
SCHEMBL22207986 0.87 TSHR (0.38) TSHRRECQLNCF1ALDH1A1SMN1; SMN2
SCHEMBL22207944 0.87 TSHR (0.38) TSHRRECQLNCF1ALDH1A1SMN1; SMN2
SCHEMBL22207945 0.87 TSHR (0.38) TSHRRECQLNCF1ALDH1A1SMN1; SMN2
SCHEMBL16147093 0.87 TSHR (0.38) TSHRRECQLNCF1ALDH1A1SMN1; SMN2
SCHEMBL16146537 0.86 TSHR (0.33) TSHRRECQLNCF1ALDH1A1SMN1; SMN2

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
EP-3908306-A1 PHOSPHATASE BINDING COMPOUNDS AND METHODS OF USING SAME Yale University (US) 2021-11-17 EP disclosed
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 US disclosed
WO-2020146470-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY (US) 2020-07-16 WO disclosed
WO-2012078559-A2 SMALL-MOLECULE HYDROPHOBIC TAGGING OF FUSION PROTEINS AND INDUCED DEGRADATION OF SAME YALE UNIVERSITY (US) 2012-06-14 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 (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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 HRH3 4852/4885TSHR 2941/4885RECQL 3300/4885

“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.