SCHEMBL21047780

SCHEMBL21047780

CC(C)=CCOC1CCC(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.41
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
GAA P10253 1/20 0.31
SGPL1 O95470 1/20 0.31
S1PR1 P21453 1/20 0.31
BTN3A1 O00481 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 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
SCHEMBL9396039 0.78 NFE2L2 (0.36) NFE2L2CHRM2CHRM1BTN3A1
SCHEMBL9398186 0.76 NPC1 (0.36) NFE2L2CHRM2CHRM1BTN3A1
SCHEMBL46362 0.75 EPHX2 (0.37)
SCHEMBL24183239 0.72 NFE2L2 (0.33) NFE2L2
SCHEMBL8009649 0.72
SCHEMBL600575 0.71 ALDH1A1 (0.33) CHRM1
SCHEMBL607099 0.70 JAK2 (0.37)
SCHEMBL29586356 0.69 EPHX1 (0.37) BTN3A1
SCHEMBL11755967 0.68 NFE2L2 (0.39) NFE2L2CHRM2CHRM1BTN3A1
SCHEMBL600619 0.68 CHRM2 (0.32) CHRM2CHRM1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495341-B1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL KANTO DENKA KOGYO KK (JP) 2022-11-02 EP disclosed
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 NFE2L2 1388/4885CHRM2 3564/4885CHRM1 2197/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS NFE2L2 1388/4885CHRM2 3564/4885CHRM1 2197/4885

“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.