SCHEMBL21047585

SCHEMBL21047585

O=C1CCCN(c2cccs2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.37
GAA P10253 2/20 0.34
TSHR P16473 4/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CHRNA7 P36544 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
PKM P14618 2/20 0.33
MAPK1 P28482 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL21047744 0.89 NR1I2 (0.35) NR1I2GAATSHRNPC1RAB9A
SCHEMBL21047724 0.78 NR1I2 (0.37) NR1I2GAATSHRNPC1RAB9A
SCHEMBL2048093 0.77
SCHEMBL3053970 0.77 GAA (0.42) GAATSHRNPC1RAB9AMAPT
SCHEMBL8181923 0.75 NPC1 (0.44) GAATSHRNPC1RAB9AMAPT
SCHEMBL29181 0.75 NPC1 (0.44) GAATSHRNPC1RAB9AMAPT
SCHEMBL2635747 0.72
SCHEMBL5605046 0.71 HPGD (0.46) NR1I2GAANPC1RAB9ACHRNA7
SCHEMBL1813296 0.71 ALOX5 (0.46) GAATSHRNPC1RAB9AMAPT
SCHEMBL21047793 0.70 CYP2A6 (0.42) TSHRCHRNA7NPSR1MEN1KMT2A

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 NR1I2 1235/4885GAA 4156/4885TSHR 2116/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS NR1I2 1235/4885GAA 4156/4885TSHR 2116/4885

“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.