SCHEMBL7572544

SCHEMBL7572544

O=C1CCC(Nc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CCR6 P51684 1/20 0.40
CA1 P00915 2/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GFER P55789 2/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
RAD52 P43351 1/20 0.39
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL6999487 0.98 DDB1 (0.46) DDB1CRBNCARM1PRMT6NFKB1
SCHEMBL30675273 0.88 DDB1 (0.45) DDB1CRBNCARM1PRMT6NFKB1
SCHEMBL5600769 0.88 DDB1 (0.45) DDB1CRBNCARM1PRMT6NFKB1
SCHEMBL236978 0.82 CARM1 (0.52) DDB1CRBNCARM1PRMT6NFKB1
SCHEMBL3696096 0.82 CARM1 (0.52) DDB1CRBNCARM1PRMT6NFKB1
SCHEMBL22212905 0.80 HDAC8 (0.47) ALDH1A1LMNAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL1170216 0.80 CARM1 (0.50) DDB1CRBNCARM1PRMT6NFKB1
Hydrochloric Acid SCHEMBL7001827 0.79 DDB1 (0.49) DDB1CRBNALDH1A1LMNAMAPT
SCHEMBL13885491 0.78 GRIK1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1POLB
SCHEMBL1068979 0.78 CARM1 (0.49) DDB1CRBNCARM1PRMT6CCR6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111925357-B Acylhydrazone compound, pharmaceutical composition and application thereof 中国科学院昆明植物研究所 2023-06-06 CN disclosed
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
CN-111925357-A Acylhydrazone compound, pharmaceutical composition and application thereof 中国科学院昆明植物研究所 2020-11-13 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
WO-2002102372-A1 GEM-DISUBSTITUTED CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2002-12-27 WO disclosed
US-4210602-A REDUCTIVE ALKYLATION OF PARA-NITROSO-DIPHENYLHYDROXYLAMINE AKZONA INCORPORATED (US) 1980-07-01 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 DDB1 4487/4885CRBN 1845/4885CARM1 1530/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS DDB1 4487/4885CRBN 1845/4885CARM1 1530/4885

“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.