SCHEMBL21047737

SCHEMBL21047737

O=C1CCC(Nc2cc3ccccc3o2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.42
MAOB P27338 6/20 0.42
NPC1 O15118 4/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 5/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 1/20 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
CA2 P00918 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAOA P21397 2/20 0.37
FLT3 P36888 1/20 0.37
CYP2A6 P11509 1/20 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) RAB9ASMN1; SMN2POLBMAOBNPC1
SCHEMBL21047795 0.72 ELANE (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL21047656 0.70 KDM4E (0.38) SMN1; SMN2POLBKDM4ELMNACYP1A2
SCHEMBL21047743 0.70 BCHE (0.41) RAB9ASMN1; SMN2POLBMAOBNPC1
SCHEMBL21047711 0.70 RAB9A (0.42) RAB9ASMN1; SMN2POLBMAOBNPC1
SCHEMBL21047674 0.70 BCHE (0.41) RAB9ASMN1; SMN2POLBMAOBNPC1
SCHEMBL21047589 0.69 KMT2A (0.36) RAB9ASMN1; SMN2POLBNPC1HPGD
SCHEMBL7298245 0.69 KDM4E (0.62) RAB9ASMN1; SMN2POLBNPC1KDM4E
SCHEMBL28643561 0.68 CYP2A6 (0.47) RAB9ASMN1; SMN2POLBMAOBNPC1
SCHEMBL29586205 0.68 KDM4E (0.50) RAB9ASMN1; SMN2POLBNPC1KDM4E

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
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 RAB9A 3527/4885SMN1; SMN2 4623/4885POLB 1414/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS RAB9A 3527/4885SMN1; SMN2 4623/4885POLB 1414/4885

“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.