SCHEMBL10172890

SCHEMBL10172890

CCOC(=O)CCC(=O)OCC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
GAA P10253 4/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
HTT P42858 1/20 0.45
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TRPA1 O75762 1/20 0.43
POLB P06746 3/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
MEN1 O00255 1/20 0.39
BRCA1 P38398 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL4951808 0.89 HTT (0.54) GAAHTTALDH1A1SMN1; SMN2NPC1
SCHEMBL67892 0.84 ALDH1A1 (0.48) CYP1A2HTTALDH1A1TSHRMEN1
SCHEMBL8465066 0.84 CYP1A2 (0.38) CYP1A2GAAMGAMSIMGAM2
SCHEMBL10175333 0.83 HTT (0.42) CYP1A2GAAHTTALDH1A1SMN1; SMN2
SCHEMBL15107841 0.83 ALDH1A1 (0.50) GAAMGAMSIMGAM2HTT
SCHEMBL2691702 0.81 DGKA (0.50) CYP1A2HTTALDH1A1LMNATSHR
Succinic Acid Diethyl Ester SCHEMBL27768067 0.81 GAA (0.67) CYP1A2GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL22780 0.81 GAA (0.67) CYP1A2GAAMGAMSIMGAM2
Succinic Acid SCHEMBL2032259 0.80 HTT (0.46) GAAHTTALDH1A1POLBLMNA
SCHEMBL9592005 0.80 HTT (0.46) GAAHTTALDH1A1POLBLMNA

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-9200098-B2 Radiation-sensitive composition and compound JSR CORPORATION (JP) 2015-12-01 US disclosed
US-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND JSR CORPORATION (JP) 2012-06-28 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-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND RAD51, RER1, ATP6AP1 CYP1A2 576/4885GAA 2048/4885MGAM 3441/4885

“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.