SCHEMBL18177977

SCHEMBL18177977

C#CCOP(=O)(OCC#C)C(=O)OCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.39
CYP3A4 P08684 2/20 0.38
TSHR P16473 5/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
ACHE P22303 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
LPAR3 Q9UBY5 3/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR2 Q9HBW0 2/20 0.34
NAAA Q02083 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL18177974 0.90 ACHE (0.37) ALDH1A1TSHRL3MBTL1ACHEZDHHC20
SCHEMBL18177979 0.82 ACHE (0.39) ALDH1A1TSHRACHELMNA
SCHEMBL2243035 0.82 CYP3A4 (0.52) ALDH1A1ATMCYP3A4TSHRHPGD
SCHEMBL2237421 0.80 ALDH1A1 (0.48) ALDH1A1ATMCYP3A4TSHRHPGD
SCHEMBL2239755 0.80 CA12 (0.48) ALDH1A1ATMCYP3A4TSHRHPGD
SCHEMBL18177951 0.80 NPC1 (0.38) TSHRACHE
SCHEMBL18177955 0.79 ACHE (0.37) TSHRL3MBTL1ACHEZDHHC20
SCHEMBL18177956 0.79 ACHE (0.37) ALDH1A1TSHRACHETDP1LMNA
SCHEMBL2242976 0.77 CYP3A4 (0.50) ALDH1A1ATMCYP3A4TSHRHPGD
SCHEMBL18182121 0.75 CA12 (0.39) TSHRL3MBTL1ACHEZDHHC20TDP1

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-20160315351-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHONOFORMIC ACID COMPOUND USED IN SAME UBE INDUSTRIES, LTD (JP) 2016-10-27 US disclosed
US-20160315351-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHONOFORMIC ACID COMPOUND USED IN SAME UBE INDUSTRIES, LTD (JP) 2016-10-27 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-20160315351-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHONOFORMIC ACID COMPOUND USED IN SAME HCN2, PHOSPHO1, HCN1 ALDH1A1 1285/4885ATM 1774/4885CYP3A4 4459/4885

“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.