SCHEMBL2945016

SCHEMBL2945016

CC(C)(C)OCCOCCOCCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 4/20 0.33
EGLN1 Q9GZT9 2/20 0.33
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
SLC15A2 Q16348 1/20 0.32
TSHR P16473 3/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31
PLA2G4B P0C869 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL2942860 1.00 BLM (0.34) BLMPMP22HSD17B10ALDH1A1LMNA
SCHEMBL2943577 1.00 BLM (0.34) BLMPMP22HSD17B10ALDH1A1LMNA
SCHEMBL242553 0.86 LMNA (0.40) PMP22ALDH1A1LMNAEGLN1FFAR3
SCHEMBL25543683 0.83 ALDH1A1 (0.38) ALDH1A1LMNASLC15A2TSHR
SCHEMBL2951165 0.83 BLM (0.34) BLMPMP22HSD17B10TSHRHMGCR
SCHEMBL2951735 0.83 BLM (0.34) BLMPMP22HSD17B10TSHRHMGCR
SCHEMBL12391963 0.81
SCHEMBL19588818 0.81
SCHEMBL16134189 0.81 LMNA (0.50) BLMPMP22HSD17B10ALDH1A1LMNA
SCHEMBL1536845 0.81 LMNA (0.50) BLMPMP22HSD17B10ALDH1A1LMNA

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-9643911-B2 Treprostinil derivatives and compositions and uses thereof Corsair Pharma, Inc. (US) 2017-05-09 US disclosed
US-20160368855-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF Corsair Pharma, Inc. 2016-12-22 US disclosed
US-7754105-B2 Water-soluble preflux and usage of the same SHIKOKU CHEMICALS CORPORATION (JP) 2010-07-13 US disclosed
US-20080318070-A1 Water-Soluble Preflux and Usage of the Same SHIKOKU CHEMICALS CORPORATION (JP) 2008-12-25 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-20160368855-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF PTGIS, PTGIR, PDE3A BLM 344/4885PMP22 2933/4885HSD17B10 2725/4885

“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.