SCHEMBL6227380

SCHEMBL6227380

COC1(OC)CC(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ALOX12 P18054 2/20 0.39
RECQL P46063 2/20 0.39
MAPK1 P28482 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CA7 P43166 1/20 0.39
BACE1 P56817 1/20 0.39
CA9 Q16790 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
MAPT P10636 5/20 0.38
KDM4E B2RXH2 3/20 0.38
CDC25A P30304 2/20 0.38
CDC25B P30305 2/20 0.38

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
SCHEMBL29498104 0.81 L3MBTL1 (0.46) POLBKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL1793005 0.81 L3MBTL1 (0.46) POLBKMT2AMEN1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6600350 0.79 L3MBTL1 (0.45) POLBKMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL28680129 0.74 POLB (0.54) POLBKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7760631 0.71 MEN1 (0.47) POLBKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL12822665 0.71 POLB (0.51) POLBKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL6629689 0.70 SIGMAR1 (0.53) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL20893429 0.70 ALDH1A1 (0.48) POLBKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL2724212 0.69 ALDH1A1 (0.54) POLBKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL29244104 0.69 KMT2A (0.46) POLBKMT2AMEN1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107793380-A Naphthoquinones of 2,3 2 third sulfone of epoxy, 5,8 dimethoxy 1,4 and preparation method thereof and the medicine containing it 黑龙江八农垦大学 2018-03-13 CN claimed
CN-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed
CN-110891980-A Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2020-03-17 CN disclosed
US-20180116977-A1 NOVEL TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS, INC. 2018-05-03 US disclosed
CN-107793380-A Naphthoquinones of 2,3 2 third sulfone of epoxy, 5,8 dimethoxy 1,4 and preparation method thereof and the medicine containing it 黑龙江八农垦大学 2018-03-13 CN disclosed
CN-107759538-A Naphthoquinones of 2,3 epoxy, 2 nonyl sulfone, 5,8 dimethoxy 1,4 and preparation method thereof and the medicine containing it 黑龙江八农垦大学 2018-03-06 CN disclosed
CN-103124563-A Combination Therapy for Prostate Cancer Treatment PELLFICURE PHARMACEUTICALS INC 2013-05-29 CN disclosed
EP-1552836-A1 ANTI-NEURODEGENERATIVE AGENTS Ikeda, Joh-E (JP) 2005-07-13 EP 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 (1 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-20180116977-A1 NOVEL TREATMENT OF PROSTATE CARCINOMA KLK3, AR, PLK1 POLB 986/4885KMT2A 2336/4885MEN1 404/4885

“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.