SCHEMBL21087697

SCHEMBL21087697

COc1cccc(C(C)(O)C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
CCR6 P51684 1/20 0.44
KCNH2 Q12809 1/20 0.44
RORA P35398 1/20 0.44
RORC P51449 1/20 0.44
NR1H2 P55055 1/20 0.44
ACHE P22303 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ENPP2 Q13822 1/20 0.42
KCNJ11 Q14654 2/20 0.41
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ8 Q15842 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL23838094 1.00 HSD11B1 (0.50) HSD11B1PDK1PDK2PDK3PDK4
SCHEMBL10681669 0.84 RORA (0.55) PDK1PDK2PDK3PDK4CCR6
SCHEMBL14919359 0.81 ACHE (0.48) PDK1PDK2PDK3PDK4CCR6
SCHEMBL6897457 0.81 ACHE (0.48) PDK1PDK2PDK3PDK4CCR6
SCHEMBL8367527 0.81 ACHE (0.48) PDK1PDK2PDK3PDK4CCR6
SCHEMBL2534644 0.81 ACHE (0.48) PDK1PDK2PDK3PDK4CCR6
SCHEMBL27756725 0.80 CCR6 (0.45) PDK1PDK2PDK3PDK4CCR6
SCHEMBL13019342 0.79 KIF11 (0.47) PDK1PDK2PDK3PDK4CCR6
SCHEMBL14191200 0.79 ACHE (0.47) PDK1PDK2PDK3PDK4CCR6
SCHEMBL22932513 0.79 ACHE (0.50) CCR6KCNH2ACHECES2CES1

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-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 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-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS HSD11B1 149/4885PDK1 189/4885PDK2 164/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS HSD11B1 149/4885PDK1 189/4885PDK2 164/4885

“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.