SCHEMBL1003108

SCHEMBL1003108

COc1cc2c(C)cc(=O)n(C)c2cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 7/20 0.63
CYP19A1 P11511 7/20 0.63
BRD9 Q9H8M2 3/20 0.52
BRD4 O60885 1/20 0.52
BRD1 O95696 1/20 0.52
BRPF1 P55201 1/20 0.52
BRPF3 Q9ULD4 1/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
BRD7 Q9NPI1 2/20 0.47
KAT2B Q92831 1/20 0.44
RET P07949 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
S100B P04271 1/20 0.42

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
SCHEMBL17576471 0.87 NQO2 (0.53) NQO2CYP19A1BRD9BRD4BRD1
SCHEMBL17576470 0.87 S100B (0.57) NQO2CYP19A1BRD9BRD4BRD1
SCHEMBL7983553 0.76 S100B (0.44) NQO2CYP19A1KDM4EALDH1A1GLA
SCHEMBL392780 0.76 NQO2 (0.57) NQO2CYP19A1BRD9KDM4EALDH1A1
SCHEMBL1001961 0.76 NQO2 (0.59) NQO2CYP19A1KDM4EALDH1A1HPGD
SCHEMBL24716706 0.74 NQO2 (0.55) NQO2CYP19A1BRD9BRD4BRD1
SCHEMBL14873828 0.74 CYP19A1 (0.77) NQO2CYP19A1BRD9KDM4EALDH1A1
SCHEMBL27240400 0.74 CYP19A1 (0.41) NQO2CYP19A1BRD9KDM4EALDH1A1
SCHEMBL19448883 0.73 ATAD2 (0.56) NQO2CYP19A1BRD9BRD4BRD1
SCHEMBL19448884 0.73 NQO2 (0.53) NQO2CYP19A1BRD9BRD4BRD1

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-11731960-B2 Biheterocyclic compound Sumitomo Pharma Co., Ltd. (JP) 2023-08-22 US disclosed
US-20220380353-A1 BIHETEROCYCLIC COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2022-12-01 US disclosed
US-20210198242-A1 BIHETEROCYCLIC COMPOUND SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-07-01 US disclosed
US-10870642-B2 Biheterocyclic compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-12-22 US disclosed
US-20190308958-A1 BIHETEROCYCLIC COMPOUND SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-10-10 US disclosed
US-10323024-B2 Biheterocyclic compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-06-18 US disclosed
US-20190016711-A1 BIHETEROCYCLIC COMPOUND SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-01-17 US disclosed
US-9382425-B2 Aza-benzazolium containing cyanine dyes Life Technologies Corporation (US) 2016-07-05 US disclosed
US-20150031579-A1 Aza-Benzazolium Containing Cyanine Dyes MOLECULAR PROBES, INC. 2015-01-29 US disclosed
US-8883415-B2 Aza-benzazolium containing cyanine dyes Life Technologies Corporation (US) 2014-11-11 US disclosed
US-20130178395-A1 Aza-Benzazolium Containing Cyanine Dyes Life Technologies Corporation (US) 2013-07-11 US disclosed
US-20120295817-A1 Aza-benzazolium Containing Cyanine Dyes Life Technologies Corporation (US) 2012-11-22 US disclosed
US-8252530-B2 Aza-benzazolium containing cyanine dyes Life Technologies Corporation (US) 2012-08-28 US disclosed
US-20110217696-A1 AZA-BENZAZOLIUM CONTAINING CYANINE DYES Life Technologies Corporation (US) 2011-09-08 US disclosed
US-7871773-B2 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected Life Technologies Corporation (US) 2011-01-18 US disclosed
US-20080044811-A1 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected INVITROGEN CORPORATION (US) 2008-02-21 US disclosed
US-7226740-B2 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected INVITROGEN CORPORATION (US) 2007-06-05 US disclosed
US-20040137475-A1 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected Life Technologies Corporation 2004-07-15 US disclosed
US-6664047-B1 Assymetrical; substituted by a cationic side chain; exhibit bright fluorescence when associated with nucleic acid polymers such as DNA or RNA, or with polypeptides MOLECULAR PROBES, INC. 2003-12-16 US disclosed
WO-2000066664-A1 AZA-BENZAZOLIUM CONTAINING CYANINE DYES MOLECULAR PROBES, INC. (US) 2000-11-09 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 (9 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-20040137475-A1 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected POLL, IK, ADAR NQO2 1987/4885CYP19A1 4702/4885BRD9 707/4885
US-20110217696-A1 AZA-BENZAZOLIUM CONTAINING CYANINE DYES AZI2, BRDT, DNMT1 NQO2 2000/4885CYP19A1 4391/4885BRD9 59/4885
US-20220380353-A1 BIHETEROCYCLIC COMPOUND NPY4R, NR4A3, OGFR NQO2 2073/4885CYP19A1 434/4885BRD9 490/4885
US-11731960-B2 Biheterocyclic compound NR4A3, NGF, OGFR NQO2 2217/4885CYP19A1 450/4885BRD9 465/4885
US-20210198242-A1 BIHETEROCYCLIC COMPOUND NR4A3, NGF, OGFR NQO2 2217/4885CYP19A1 450/4885BRD9 465/4885
US-20190308958-A1 BIHETEROCYCLIC COMPOUND NR4A3, NGF, OGFR NQO2 2217/4885CYP19A1 450/4885BRD9 465/4885
US-10323024-B2 Biheterocyclic compound NR4A3, NGF, OGFR NQO2 2217/4885CYP19A1 450/4885BRD9 465/4885
US-10870642-B2 Biheterocyclic compound NR4A3, NGF, OGFR NQO2 2217/4885CYP19A1 450/4885BRD9 465/4885
US-20190016711-A1 BIHETEROCYCLIC COMPOUND NR4A3, NGF, OGFR NQO2 2217/4885CYP19A1 450/4885BRD9 465/4885

“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.