SCHEMBL4860299

SCHEMBL4860299

O=C(O)c1cc(C(F)(F)F)c(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ASPH Q12797 1/20 0.55
CES2 O00748 2/20 0.45
SORT1 Q99523 4/20 0.43
NOTUM Q6P988 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAS2R14 Q9NYV8 4/20 0.38
CFTR P13569 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
DAO P14920 1/20 0.38
GRIK1 P39086 1/20 0.37

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
SCHEMBL3036944 0.95 ASPH (0.59) ASPHCES2SORT1NOTUMKDM4E
SCHEMBL30748715 0.93 ASPH (0.57) ASPHCES2SORT1NOTUMKDM4E
SCHEMBL30777934 0.93 ASPH (0.57) ASPHCES2SORT1NOTUMKDM4E
Hydrochloric Acid SCHEMBL22164128 0.93 ASPH (0.57) ASPHCES2SORT1NOTUMKDM4E
SCHEMBL15920412 0.90 ASPH (0.53) ASPHCES2SORT1NOTUMKDM4E
SCHEMBL23753333 0.83 ASPH (0.49) ASPHCES2NOTUMKDM4EALDH1A1
SCHEMBL31314547 0.83 KDM4E (0.50) ASPHCES2SORT1NOTUMKDM4E
SCHEMBL29179273 0.82 ASPH (0.52) ASPHCES2SORT1NOTUMKDM4E
SCHEMBL9156761 0.82 ASPH (0.47) ASPHCES2SORT1NOTUMKDM4E
SCHEMBL16914140 0.82 ASPH (0.52) ASPHCES2NOTUMKDM4EALDH1A1

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-7405331-B2 High-purity (fluoroalkyl)benzene derivative and process for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-07-29 US disclosed
US-20060167324-A1 High-purity (fluoroalkyl)benzene derivative and process for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-07-27 US disclosed
EP-1500641-A1 HIGH-PURITY (FLUOROALKYL)BENZENE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-01-26 EP 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-20060167324-A1 High-purity (fluoroalkyl)benzene derivative and process for producing the same HBB, AFF4, AFF2 ASPH 2875/4885CES2 2075/4885SORT1 4693/4885

“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.