SCHEMBL21047679

SCHEMBL21047679

O=C1CCC(Nc2nccc3ccccc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.45
FDPS P14324 1/20 0.43
HCRTR2 O43614 2/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
HCRTR1 O43613 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP30 Q70CQ3 1/20 0.41
BRD4 O60885 2/20 0.40
ATAD2 Q6PL18 2/20 0.40
GRM4 Q14833 2/20 0.38

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
SCHEMBL29586351 1.00 UTS2R (0.45) UTS2RFDPSHCRTR2DDB1CRBN
SCHEMBL7127434 0.88 UTS2R (0.55) UTS2RFDPSHCRTR2HCRTR1DRD2
SCHEMBL30614565 0.88 UTS2R (0.55) UTS2RFDPSHCRTR2HCRTR1DRD2
SCHEMBL31098949 0.84 KDM4E (0.59) UTS2RKDM4EHSD17B10GRM4ACP1
SCHEMBL31098977 0.84 KDM4E (0.54) UTS2RFDPSHCRTR2HCRTR1KDM4E
SCHEMBL31098961 0.83 KDM4E (0.57) UTS2RKDM4EHSD17B10NPC1RAB9A
SCHEMBL31098943 0.81 MERTK (0.51) UTS2RFDPSHCRTR2HCRTR1
SCHEMBL2417594 0.81 BRD4 (0.52) UTS2RKDM4EHSD17B10ALDH1A1MAPT
Hydrochloric Acid SCHEMBL2419851 0.79 BRD4 (0.51) UTS2RKDM4EHSD17B10ALDH1A1MAPT
SCHEMBL29586498 0.78 LMNA (0.50) KDM4EHSD17B10NPC1ALDH1A1MAPT

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 UTS2R 4558/4885FDPS 268/4885HCRTR2 4486/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS UTS2R 4558/4885FDPS 268/4885HCRTR2 4486/4885

“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.