SCHEMBL21047804

SCHEMBL21047804

O=C1CCC(Nc2ncccn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
GAA P10253 1/20 0.62
MAPK1 P28482 3/20 0.58
HDAC6 Q9UBN7 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
DRD2 P14416 11/20 0.43
DRD3 P35462 10/20 0.43
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
EPHX2 P34913 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL246119 0.83 KDM4E (0.78) KDM4EGAAMAPK1DRD2DRD3
Hydrochloric Acid SCHEMBL1936751 0.81 KDM4E (0.75) KDM4EGAAMAPK1DRD2DRD3
SCHEMBL17101636 0.79 MAPK1 (0.62) KDM4EGAAMAPK1HDAC6ALDH1A1
SCHEMBL6190784 0.79 KDM4E (0.95) KDM4EGAAMAPK1HDAC6DRD2
SCHEMBL12162873 0.79 KDM4E (0.87) KDM4EGAAMAPK1HDAC6DRD2
SCHEMBL21047693 0.78 NOS2 (0.51) GAAHDAC6HDAC8ALDH1A1
SCHEMBL15954538 0.77 KDM4E (1.00) KDM4EGAAMAPK1HDAC6DRD2
SCHEMBL7768908 0.77 KDM4E (1.00) KDM4EGAAMAPK1HDAC6DRD2
SCHEMBL17730226 0.73 KDM4E (0.64) KDM4EGAAMAPK1DRD2DRD3
SCHEMBL1332283 0.73 KDM4E (0.64) KDM4EGAAMAPK1DRD2DRD3

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 6 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
CN-109563016-B Method for producing perfluoroalkyl compound using monohydroperfluoroalkane as starting material 关东电化工业株式会社 2022-05-13 CN 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
CN-109563016-A Using single hydrogen perfluoro alkane as the manufacturing method of the all-fluoroalkyl compound of starting material 关东电化工业株式会社 2019-04-02 CN 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 KDM4E 502/4885GAA 4156/4885MAPK1 709/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS KDM4E 502/4885GAA 4156/4885MAPK1 709/4885

“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.