SCHEMBL21047719

SCHEMBL21047719

O=C1CCC(Oc2nc3ccccc3[nH]2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
PLAUR Q03405 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 4/20 0.41
ABCB11 O95342 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE10A Q9Y233 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL23123293 0.87 ALDH1A1 (0.48) KDM4CMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7711359 0.79 PLAUR (0.40) PLAURMEN1KMT2AGLASMN1; SMN2
SCHEMBL30986408 0.76 LTA4H (0.45) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3272033 0.72 HDAC6 (0.48)
SCHEMBL7472875 0.72 HRH4 (0.43) SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL21047851 0.72 DDB1 (0.60) DDB1CRBNKMT2ASMN1; SMN2NPC1
SCHEMBL21047590 0.72 LMNA (0.48) DDB1CRBNPLAURMEN1KMT2A
SCHEMBL21047903 0.72 KCNN3 (0.53) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL21047576 0.71 HCRTR2 (0.44) DDB1CRBNMEN1KMT2ASMN1; SMN2
SCHEMBL21047871 0.71 CA12 (0.41) ALDH1A1KDM4EHSD17B10AOC3

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 KDM4C 579/4885DDB1 4487/4885CRBN 1845/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS KDM4C 579/4885DDB1 4487/4885CRBN 1845/4885

“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.