SCHEMBL4264783

SCHEMBL4264783

[CH2]COCCOCCOCCN(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
CA1 P00915 2/20 0.47
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
USP2 O75604 1/20 0.36
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRM3 P20309 1/20 0.34
CHRNA4 P43681 1/20 0.34
KDM4E B2RXH2 10/20 0.33
ALDH1A1 P00352 6/20 0.33
TDP1 Q9NUW8 3/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 2/20 0.31

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
SCHEMBL4273359 1.00 CA12 (0.47) CA12CA2CA9CA1ADRB2
SCHEMBL26611 0.95
SCHEMBL12918862 0.86 CA12 (0.56) CA12CA2CA9CA1ADRB2
SCHEMBL3973874 0.86 CA12 (0.56) CA12CA2CA9CA1ADRB2
Ammonia Solution, Strong SCHEMBL17238502 0.83 CA12 (0.54) CA12CA2CA9CA1ADRB2
SCHEMBL15091 0.83 CA12 (0.52) CA12CA2CA9CA1ADRB2
SCHEMBL2106534 0.81
Water SCHEMBL2217898 0.80 CA12 (0.50) CA12CA2CA9CA1ADRB2
Hydrochloric Acid SCHEMBL473385 0.80 CA12 (0.50) CA12CA2CA9CA1ADRB2
SCHEMBL31696969 0.80 CA12 (0.50) CA12CA2CA9CA1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294260-B2 Tetracyclic anthraquinone derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2019-05-21 US claimed
US-20170247403-A1 TETRACYCLIC ANTHRAQUINONE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2017-08-31 US claimed
US-9670242-B2 Tetracyclic anthraquinone derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2017-06-06 US claimed
EP-2824108-B1 TETRACYCLIC ANTHRAQUINONE DERIVATIVES TIANJIN HEMAY BIO-TECH CO LTD (CN) 2017-04-19 EP claimed
US-20150166595-A1 Tetracyclic Anthraquinone Derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2015-06-18 US claimed
EP-2824108-A1 TETRACYCLIC ANTHRAQUINONE DERIVATIVES Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2015-01-14 EP claimed
US-10294260-B2 Tetracyclic anthraquinone derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2019-05-21 US disclosed
US-20170247403-A1 TETRACYCLIC ANTHRAQUINONE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2017-08-31 US disclosed
US-9670242-B2 Tetracyclic anthraquinone derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2017-06-06 US disclosed
US-20150166595-A1 Tetracyclic Anthraquinone Derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2015-06-18 US disclosed
EP-2824108-A1 TETRACYCLIC ANTHRAQUINONE DERIVATIVES Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2015-01-14 EP disclosed
US-7605263-B2 Fluorescent naphthalene-1,4,5,8-tetracarboxylic bisimides with an electron-donating substituent on the nucleus INFINEON TECHNOLOGIES AG (DE) 2009-10-20 US disclosed
US-20030153005-A1 Fluorescent naphthalene -1,4,5,8-tetracarboxylic bisimides with an electron-donating substituent on the nucleus POLARIS INNOVATIONS LIMITED (IE) 2003-08-14 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 (4 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-20150166595-A1 Tetracyclic Anthraquinone Derivatives ANTXR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TBXA2R CA12 1897/4885CA2 1291/4885CA9 1764/4885
US-10294260-B2 Tetracyclic anthraquinone derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, F12, ANTXR2 CA12 1351/4885CA2 1271/4885CA9 1123/4885
US-20030153005-A1 Fluorescent naphthalene -1,4,5,8-tetracarboxylic bisimides with an electron-donating substituent on the nucleus H1-4, H1-3, H1-5 CA12 2072/4885CA2 1356/4885CA9 2097/4885
US-20170247403-A1 TETRACYCLIC ANTHRAQUINONE DERIVATIVES ANTXR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TBXA2R CA12 1897/4885CA2 1291/4885CA9 1764/4885

“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.