SCHEMBL21047699

SCHEMBL21047699

O=C1CCN(c2ccco2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.35
MAPT P10636 4/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 5/20 0.32
PKM P14618 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
NFKB1 P19838 1/20 0.32
BLM P54132 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL21047779 0.89 KMT2A (0.37) PRKDCMAPTKMT2APOLBTDP1
SCHEMBL21047591 0.89 PRKDC (0.40) PRKDCMAPTKMT2APOLBTDP1
SCHEMBL27281082 0.81 MAPT (0.43) PRKDCMAPTKMT2APOLBTDP1
SCHEMBL11459166 0.73 NPC1 (0.41) MAPTKMT2APOLBTDP1NPSR1
SCHEMBL3349858 0.71 ALDH1A1 (0.41) PRKDCMAPTPOLBTDP1ALDH1A1
SCHEMBL761104 0.71
SCHEMBL4607483 0.70 ALDH1A1 (0.44) MAPTKMT2APOLBALDH1A1KDM4E
SCHEMBL9489951 0.69 KDM4E (0.37) PRKDCMAPTKMT2APOLBTDP1
SCHEMBL1953072 0.68 MEN1 (0.45) MAPTKMT2APOLBALDH1A1MEN1
SCHEMBL28143517 0.68 PRKDC (0.53) PRKDCMAPTKMT2APOLBTDP1

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
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 PRKDC 621/4885MAPT 1730/4885KMT2A 543/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS PRKDC 621/4885MAPT 1730/4885KMT2A 543/4885

“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.