SCHEMBL12705166

SCHEMBL12705166

CC(C(=O)OC1CCOC1=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.36

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
SCHEMBL13779882 0.86 POLB (0.51) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12705164 0.83 POLB (0.54) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7746827 0.82 POLB (0.56) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7746830 0.82 POLB (0.56) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7747755 0.82 POLB (0.56) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL17717479 0.80 POLB (0.54) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12256175 0.79 POLB (0.49) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23365421 0.77 KDM4E (0.51) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL786141 0.77 KDM4E (0.51) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL19052045 0.77 POLB (0.51) POLBKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110091808-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-21 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-20110091808-A1 PHOTORESIST COMPOSITION ASIC1, ASIC3, SUN2 POLB 847/4885KDM4E 3478/4885ALDH1A1 2111/4885

“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.