SCHEMBL21047775

SCHEMBL21047775

O=C1CCC(Nc2cccc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
EPHX1 P07099 1/20 0.46
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
RAB9A P51151 1/20 0.42
KEAP1 Q14145 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 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
SCHEMBL29586436 1.00 KDM4E (0.47) KDM4ESMN1; SMN2MAPTHPGDROCK2
SCHEMBL28283946 0.86 KDM4E (0.42) KDM4ESMN1; SMN2MAPTHPGDROCK2
SCHEMBL29447185 0.86 ROCK2 (0.58) KDM4ESMN1; SMN2MAPTHPGDROCK2
SCHEMBL9008311 0.86 ROCK2 (0.58) KDM4ESMN1; SMN2MAPTHPGDROCK2
SCHEMBL21047714 0.84 KDM4E (0.41) KDM4ESMN1; SMN2MAPTHPGDROCK2
SCHEMBL21047608 0.84 KDM4E (0.41) KDM4ESMN1; SMN2MAPTHPGDROCK2
SCHEMBL21047850 0.84 KDM4E (0.41) KDM4ESMN1; SMN2MAPTHPGDROCK2
SCHEMBL29586663 0.84 KDM4E (0.41) KDM4ESMN1; SMN2MAPTHPGDROCK2
SCHEMBL29587050 0.84 KDM4E (0.41) KDM4ESMN1; SMN2MAPTHPGDROCK2
SCHEMBL29587770 0.84 KDM4E (0.41) KDM4ESMN1; SMN2MAPTHPGDROCK2

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 5 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
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 502/4885SMN1; SMN2 4623/4885MAPT 1730/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS KDM4E 502/4885SMN1; SMN2 4623/4885MAPT 1730/4885

“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.