SCHEMBL3622263

SCHEMBL3622263

COC(=O)C=C=CC(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.53
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TYR P14679 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7666683 0.89 HCAR2 (0.48) HCAR2KEAP1NFE2L2ALDH1A1ALOX15
SCHEMBL15781972 0.86
SCHEMBL3987201 0.79
SCHEMBL1877444 0.79
SCHEMBL2468754 0.79
SCHEMBL1877447 0.79
SCHEMBL7168184 0.77
SCHEMBL7656039 0.77
SCHEMBL7664566 0.77
SCHEMBL7664562 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848637-B Method for synthesizing cis/trans spiro compound containing oxygen nitrogen heteroatom 扬州大学 2021-07-20 CN disclosed
CN-111848637-A Method for synthesizing cis/trans spiro compound containing oxygen nitrogen heteroatom 扬州大学 2020-10-30 CN disclosed
US-9221833-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-12-29 US disclosed
US-7781485-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-24 US disclosed
US-20070265268-A1 Hsp90 Family protein Inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-11-15 US disclosed
EP-1813270-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-08-01 EP disclosed
US-6657052-B1 Labeling DNA or RNA at a specific site consisting of stable precursor, and only becomes reactive upon activation; alkylating only phosphodiester groups; lactonization reaction traps the trialkylphosphate in a stable form. UNIVERSITY OF ARKANSAS 2003-12-02 US disclosed
US-5541327-A Preparation of camptothecin analogs SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1996-07-30 US disclosed
US-5525731-A CYCLIZATION; HALOGENATION; ALKYLATION; REDUCTION; HYDROLYSIS; DECARBOXYLATION; SELENYLATION SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1996-06-11 US disclosed
US-5446047-A Anticancer agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1995-08-29 US disclosed
US-5391745-A Cytotoxic activity towards cancer cells SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1995-02-21 US disclosed
WO-1994011376-A1 CAMPTOTHECIN ANALOGUES AND METHODS OF PREPARATION THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-05-26 WO 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-20070265268-A1 Hsp90 Family protein Inhibitors HSPA4L, HSP90AB1, HSP90B1 HCAR2 1695/4885KEAP1 478/4885NFE2L2 1216/4885

“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.