SCHEMBL21047711

SCHEMBL21047711

O=C1CCC(Oc2cc3ccccc3o2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
SMN1; SMN2 Q16637 2/20 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
MAOB P27338 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37

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) RAB9ANPC1BCHEACHESMN1; SMN2
SCHEMBL21047701 0.72 NPC1 (0.42) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL21047871 0.71 CA12 (0.41) HPGDDAOMAOBKDM4EALDH1A1
SCHEMBL29586664 0.71 CA12 (0.41) HPGDDAOMAOBKDM4EALDH1A1
SCHEMBL21047743 0.70 BCHE (0.41) RAB9ANPC1MEN1KMT2ABCHE
SCHEMBL21047737 0.70 RAB9A (0.43) RAB9ANPC1MEN1KMT2ABCHE
SCHEMBL21047674 0.70 BCHE (0.41) RAB9ANPC1MEN1KMT2ABCHE
SCHEMBL21047637 0.69 MAPT (0.36) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4624720 0.68 LOXL2 (0.52) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL17394564 0.68 AGXT (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 RAB9A 3527/4885NPC1 1884/4885MEN1 1558/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS RAB9A 3527/4885NPC1 1884/4885MEN1 1558/4885

“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.