SCHEMBL21047569

SCHEMBL21047569

O=C1CCC(N(c2cc3ccccc3s2)c2cc3ccccc3s2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
GSK3B P49841 1/20 0.37
CYP2A6 P11509 3/20 0.37
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
BCL2L1 Q07817 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL4147085 0.74 SLC6A4 (0.52) ALOX5GSK3BCYP2A6CA12CA9
SCHEMBL21047847 0.72 ALDH1A1 (0.46)
SCHEMBL21047609 0.71 CYP2A6 (0.38) GSK3BCYP2A6CA12CA9CA2
SCHEMBL29586286 0.71 CYP2A6 (0.38) GSK3BCYP2A6CA12CA9CA2
SCHEMBL21047735 0.70 HTR1A (0.38) SLC6A4
SCHEMBL29587505 0.70 HDAC3 (0.37) CYP2A6CA12CA9CA2CA1
SCHEMBL29586210 0.70 CYP2A6 (0.37) GSK3BCYP2A6CA12CA9CA2
SCHEMBL21047620 0.70 CYP2A6 (0.37) GSK3BCYP2A6CA12CA9CA2
SCHEMBL21047915 0.70 HDAC3 (0.37) CYP2A6CA12CA9CA2CA1
SCHEMBL21047695 0.69 HTR1A (0.33)

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
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

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 ALOX5 1539/4885GSK3B 1195/4885CYP2A6 760/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS ALOX5 1539/4885GSK3B 1195/4885CYP2A6 760/4885

“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.