SCHEMBL6404312

SCHEMBL6404312

O=C(c1ccc(-c2ccccc2)cc1)c1ccccc1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.67
ATM Q13315 1/20 0.67
AKR1C3 P42330 3/20 0.55
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
MAPK14 Q16539 1/20 0.53
MAPT P10636 3/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.49
PTPN1 P18031 1/20 0.48
GSK3B P49841 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL3839155 0.88 MAPK13 (0.58) CDC25BATMAKR1C3MAPK13MAPK12
SCHEMBL723657 0.88 AKR1C3 (0.61) CDC25BATMAKR1C3MAPK13MAPK12
SCHEMBL29913321 0.88 AKR1C3 (0.61) CDC25BATMAKR1C3MAPK13MAPK12
SCHEMBL28045613 0.87 CDC25B (0.61) CDC25BATMAKR1C3CA1CA2
SCHEMBL3842158 0.86 AKR1C3 (0.60) CDC25BATMAKR1C3CA1CA2
SCHEMBL3677894 0.84 AKR1C3 (0.69) CDC25BATMAKR1C3MAPK13MAPK12
SCHEMBL20157913 0.82 LIG1 (0.66) AKR1C3MAPK13MAPK12MAPK11MAPK14
SCHEMBL6654918 0.81 MAPK13 (0.60) CDC25BATMAKR1C3CA1CA2
SCHEMBL3597584 0.81 TP53 (0.54) CDC25BATMAKR1C3MAPK13MAPK12
SCHEMBL9281265 0.81 NR4A1 (0.65) AKR1C3MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861541-B2 Method for preparation of an anthraquinone colorant composition GENERAL ELECTRIC COMPANY (US) 2005-03-01 US claimed
US-20040152814-A1 Method for preparation of an anthraquinone colorant composition SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2004-08-05 US claimed
US-20040087692-A1 Method for preparation of an anthraquinone colorant composition GENERAL ELECTRIC COMPANY 2004-05-06 US claimed
CN-116462579-B Preparation method of spirofluorene anthrone compound 大连理工大学 2024-04-05 CN disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
CN-116462579-A Preparation method of spirofluorene anthrone compound 大连理工大学 2023-07-21 CN disclosed
US-11005050-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-05-11 US disclosed
EP-3424936-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-04-07 EP disclosed
EP-3424936-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2019-01-09 EP disclosed
EP-3094638-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-11-08 EP disclosed
US-20160365520-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-12-15 US disclosed
US-20160365520-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-12-15 US disclosed
WO-2015104045-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-07-16 WO disclosed
US-20150171348-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-06-18 US disclosed
US-20150171348-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-06-18 US disclosed
WO-2014023377-A2 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-02-13 WO disclosed
US-6861541-B2 Method for preparation of an anthraquinone colorant composition GENERAL ELECTRIC COMPANY (US) 2005-03-01 US disclosed
US-20040152814-A1 Method for preparation of an anthraquinone colorant composition SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2004-08-05 US disclosed
US-20040087692-A1 Method for preparation of an anthraquinone colorant composition GENERAL ELECTRIC COMPANY 2004-05-06 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 (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-20150171348-A1 Metal Complexes SOD1, AP1M1, AP3M1 CDC25B 4255/4885ATM 3760/4885AKR1C3 4365/4885
US-11005050-B2 Metal complexes SOD1, AP1M1, AP3M1 CDC25B 4255/4885ATM 3760/4885AKR1C3 4365/4885
US-20160365520-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 CDC25B 4255/4885ATM 3760/4885AKR1C3 4365/4885
US-11917901-B2 Metal complexes MCOLN2, MCOLN1, AP1M1 CDC25B 2259/4885ATM 3891/4885AKR1C3 3509/4885

“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.