SCHEMBL18243166

SCHEMBL18243166

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[CH]c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
MEN1 O00255 1/20 0.36
TTR P02766 1/20 0.36
AKR1B1 P15121 1/20 0.36
KMT2A Q03164 1/20 0.36
CHAT P28329 3/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PIM1 P11309 1/20 0.35

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
SCHEMBL18242262 0.95 HSD17B10 (0.40) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18242247 0.87 RXRA (0.41) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3247717 0.79 RXRA (0.43) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18241978 0.71 CYP2C19 (0.41) MEN1KMT2AHSD17B10ALDH1A1TDP1
SCHEMBL18243277 0.71 CYP2A6 (0.43) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4814070 0.71 CHAT (0.44) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1119409 0.69 ALDH1A1 (0.33) TSHRALDH1A1CYP2A6
SCHEMBL18242061 0.68 RXRA (0.41) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2596074 0.68 RXRA (0.41) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28422123 0.68 RXRA (0.49) RXRACHATHDAC8HDAC6MTNR1A

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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 RXRA 202/4885GRIN2D 3891/4885GRIN3B 4024/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 RXRA 202/4885GRIN2D 3891/4885GRIN3B 4024/4885

“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.