SCHEMBL21047634

SCHEMBL21047634

CCCCCCCOC1CCC(=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.40
EPHX2 P34913 2/20 0.39
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RECQL P46063 2/20 0.36
TSHR P16473 2/20 0.36
CES2 O00748 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
NAAA Q02083 3/20 0.35
LMNA P02545 1/20 0.35
S1PR1 P21453 2/20 0.35
SGPL1 O95470 2/20 0.35
TERT O14746 1/20 0.35
UCHL3 P15374 1/20 0.35
AKT1 P31749 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL21047817 1.00 GBA1 (0.40) GBA1EPHX2CYP1A2ALDH1A1TDP1
SCHEMBL8743942 1.00 GBA1 (0.40) GBA1EPHX2CYP1A2ALDH1A1TDP1
SCHEMBL21047710 1.00 GBA1 (0.40) GBA1EPHX2CYP1A2ALDH1A1TDP1
SCHEMBL21047655 1.00 GBA1 (0.40) GBA1EPHX2CYP1A2ALDH1A1TDP1
SCHEMBL9405869 0.98 EPHX2 (0.40) GBA1EPHX2CYP1A2ALDH1A1TDP1
SCHEMBL1574372 0.92 CRBN (0.36) EPHX2CYP1A2TDP1TSHRS1PR1
SCHEMBL28347231 0.89 S1PR1 (0.38) GBA1EPHX2CYP1A2ALDH1A1TDP1
SCHEMBL6134931 0.85 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6132356 0.85 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6132514 0.85 ALDH1A1 (0.34) ALDH1A1

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
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 GBA1 2860/4885EPHX2 625/4885CYP1A2 212/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS GBA1 2860/4885EPHX2 625/4885CYP1A2 212/4885

“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.