SCHEMBL21047743

SCHEMBL21047743

O=C1CCC(N(c2cc3ccccc3o2)c2cc3ccccc3o2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
TYR P14679 1/20 0.39
DAO P14920 1/20 0.39
AKR1B1 P15121 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
RAB9A P51151 5/20 0.37
MAOB P27338 5/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
FLT3 P36888 1/20 0.37
CYP2A6 P11509 1/20 0.37
NPC1 O15118 4/20 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
SCHEMBL979419 0.74 ACHE (0.66) BCHEACHESMN1; SMN2HPGDTYR
SCHEMBL21047751 0.72 NPC1 (0.42) SMN1; SMN2HPGDRAB9AKDM4EALDH1A1
SCHEMBL21047735 0.70 HTR1A (0.38) ACHEHPGDSLC6A4KDM4EALDH1A1
SCHEMBL21047737 0.70 RAB9A (0.43) BCHEACHESMN1; SMN2HPGDTYR
SCHEMBL21047711 0.70 RAB9A (0.42) BCHEACHESMN1; SMN2HPGDTYR
SCHEMBL21047674 0.70 BCHE (0.41) BCHEACHESMN1; SMN2HPGDTYR
SCHEMBL21047728 0.69 KMT2A (0.36) SMN1; SMN2POLBRAB9AKDM4EALDH1A1
SCHEMBL21047840 0.68 SLC6A2 (0.39) SLC6A2SLC6A4KCNH2ALDH1A1MEN1
SCHEMBL29587147 0.67 DPP8 (0.42) SMN1; SMN2HPGDRAB9AKDM4EALDH1A1
SCHEMBL21047600 0.67 DPP8 (0.42) SMN1; SMN2HPGDRAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BCHE 2232/4885ACHE 4022/4885SMN1; SMN2 4623/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS BCHE 2232/4885ACHE 4022/4885SMN1; SMN2 4623/4885

“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.