SCHEMBL19506441

SCHEMBL19506441

CO[C@@H](CCCCC(C)C)COC(O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
AOC3 Q16853 2/20 0.36
GPR88 Q9GZN0 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 3/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2C P18825 2/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
ADRA2B P18089 1/20 0.33
C5 P01031 1/20 0.33
THRB P10828 1/20 0.33
RCE1 Q9Y256 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
RIPK1 Q13546 1/20 0.32
HIF1A Q16665 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
SCHEMBL19737689 0.83 KDM4E (0.40) KDM4EAOC3ALDH1A1LMNAKMT2A
SCHEMBL18596502 0.83 KDM4E (0.40) KDM4EAOC3ALDH1A1LMNAKMT2A
SCHEMBL28389100 0.78 KDM4E (0.43) KDM4EAOC3GPR88ALDH1A1LMNA
SCHEMBL9750431 0.78 KDM4E (0.43) KDM4EAOC3GPR88ALDH1A1LMNA
SCHEMBL19798765 0.77 LMNA (0.44) KDM4EAOC3ALDH1A1LMNAADRA2A
SCHEMBL28515552 0.73 LMNA (0.39) KDM4EAOC3GPR88ALDH1A1LMNA
SCHEMBL19068009 0.72 KDM4E (0.37) KDM4EALDH1A1LMNAKMT2APOLB
SCHEMBL7298876 0.71 AOC3 (0.58) KDM4EAOC3ALDH1A1LMNAADRA2A
SCHEMBL19606494 0.71 CASR (0.42) KDM4EALDH1A1LMNAKMT2A
SCHEMBL19737677 0.71 LMNA (0.40) KDM4EGPR88ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957238-B2 Arylalkyl-and aryloxyalkyl-substituted epithelial sodium channel blocking compounds PARION SCIENCES, INC. (US) 2018-05-01 US disclosed
US-20170305868-A1 ARYLALKYL-AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2017-10-26 US 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-20170305868-A1 ARYLALKYL-AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS CFTR, SCNN1B, SCNN1A KDM4E 3123/4885AOC3 1877/4885GPR88 422/4885

“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.