SCHEMBL6130239

SCHEMBL6130239

[CH2]CCCc1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
IDO1 P14902 2/20 0.33
SCN8A Q9UQD0 1/20 0.32
HSD11B1 P28845 3/20 0.32
AXL P30530 1/20 0.32
KIF11 P52732 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MCL1 Q07820 1/20 0.31
P2RX7 Q99572 1/20 0.31
CES1 P23141 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6130265 0.87 TAAR1 (0.41) TAAR1SMN1; SMN2IDO1AXLKIF11
SCHEMBL18377989 0.84
SCHEMBL18243361 0.81 ELANE (0.31)
SCHEMBL18244325 0.80
SCHEMBL18242437 0.79 TAAR1 (0.39) TAAR1SMN1; SMN2IDO1SCN8AALDH1A1
SCHEMBL18377985 0.79 TAAR1 (0.31) TAAR1
SCHEMBL22864098 0.79 HSD11B1 (0.41) TAAR1SMN1; SMN2HSD11B1
SCHEMBL9046662 0.79 CA2 (0.41) KIF11ALDH1A1TDP1
SCHEMBL5252147 0.78 TAAR1 (0.43) TAAR1SMN1; SMN2IDO1AXLKIF11
SCHEMBL18243845 0.78 TAAR1 (0.38) TAAR1SMN1; SMN2IDO1SCN8AHSD11B1

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 8 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
EP-1347952-A4 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2005-10-26 EP disclosed
EP-1347952-A1 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES Dow AgroSciences LLC (US) 2003-10-01 EP disclosed
WO-2002046142-A1 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2002-06-13 WO disclosed
US-6348627-B1 CONTROLLING PHYTOPATHOGENIC FUNGI DOW AGROSCIENCES LLC 2002-02-19 US disclosed
WO-2002012172-A1 UNSATURATED OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2002-02-14 WO disclosed
US-6303818-B1 Unsaturated oxime ethers and their use as fungicides DOW AGROSCIENCES LLC 2001-10-16 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 TAAR1 1102/4885SMN1; SMN2 3268/4885IDO1 3306/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 TAAR1 1102/4885SMN1; SMN2 3268/4885IDO1 3306/4885

“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.