SCHEMBL18177965

SCHEMBL18177965

O=C(Oc1ccccc1)P1(=O)OCCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 3/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
FAAH O00519 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MAPT P10636 1/20 0.34
PARP10 Q53GL7 1/20 0.34
NSD2 O96028 1/20 0.34

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
SCHEMBL18177970 0.93 L3MBTL1 (0.39) ALDH1A1RAB9ATDP1ATML3MBTL1
SCHEMBL18177964 0.72 GAA (0.41) ALDH1A1RAB9ATDP1ATML3MBTL1
SCHEMBL3453447 0.71 RECQL (0.42) KMT2AHSD17B10MEN1
Cyclohexane SCHEMBL23214149 0.66 ALDH1A1 (0.53) ALDH1A1RAB9ATDP1ATML3MBTL1
Cyclohexane SCHEMBL6263406 0.66 ALDH1A1 (0.53) ALDH1A1RAB9ATDP1ATML3MBTL1
Fluoride SCHEMBL27906569 0.66 TDP1 (0.52) ALDH1A1TDP1ATML3MBTL1HPGD
Oxirane SCHEMBL2838796 0.66 THRB (0.50) RAB9ATDP1ATML3MBTL1KMT2A
SCHEMBL8734781 0.64 MAPT (0.43) ALDH1A1TDP1L3MBTL1KMT2AHPGD
SCHEMBL3453682 0.63 HPGD (0.34) RAB9AKMT2AHPGDNPC1MEN1
SCHEMBL3077817 0.63 SMN1; SMN2 (0.72) ALDH1A1RAB9AKMT2AALOX15SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10374256-B2 Nonaqueous electrolyte solution, electricity storage device using same, and phosphonoformic acid compound used in same UBE INDUSTRIES, LTD. (JP) 2019-08-06 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
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 (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-10374256-B2 Nonaqueous electrolyte solution, electricity storage device using same, and phosphonoformic acid compound used in same HCN2, PHOSPHO1, HCN1 ALDH1A1 1285/4885RAB9A 3667/4885TDP1 2934/4885
US-20160315351-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHONOFORMIC ACID COMPOUND USED IN SAME HCN2, PHOSPHO1, HCN1 ALDH1A1 1285/4885RAB9A 3667/4885TDP1 2934/4885

“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.