SCHEMBL21047591

SCHEMBL21047591

O=C1CCN(c2ccco2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.40
PKM P14618 1/20 0.36
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL21047699 0.89 PRKDC (0.35) PRKDCPKMADRA1AADRA1BMAPT
SCHEMBL11459166 0.80 NPC1 (0.41) PKMADRA1AADRA1BMAPTKMT2A
SCHEMBL761104 0.79
SCHEMBL3349858 0.79 ALDH1A1 (0.41) PRKDCPKMADRA1AADRA1BMAPT
SCHEMBL21047779 0.78 KMT2A (0.37) PRKDCADRA1AADRA1BMAPTKMT2A
SCHEMBL4607483 0.77 ALDH1A1 (0.44) ADRA1AADRA1BMAPTKMT2APOLB
SCHEMBL27281082 0.76 MAPT (0.43) PRKDCPKMADRA1AADRA1BMAPT
SCHEMBL28143517 0.75 PRKDC (0.53) PRKDCMAPTKMT2APOLBTDP1
SCHEMBL5029237 0.73 ADRB1 (0.47) ALDH1A1KDM4E
SCHEMBL8984800 0.73 PKM (0.37) PRKDCPKMADRA1AADRA1BMAPT

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 PRKDC 621/4885PKM 18/4885ADRA1A 2233/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS PRKDC 621/4885PKM 18/4885ADRA1A 2233/4885

“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.