SCHEMBL290040

SCHEMBL290040

COc1ccc(OBOc2ccc(OC)cc2OC)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.71
CA1 P00915 1/20 0.71
CA2 P00918 1/20 0.71
CA7 P43166 1/20 0.71
CA9 Q16790 1/20 0.71
CA14 Q9ULX7 1/20 0.71
CYP1A1 P04798 7/20 0.50
CYP1B1 Q16678 7/20 0.50
CYP1A2 P05177 6/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
CYP3A4 P08684 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50
IDO1 P14902 2/20 0.48
NFE2L2 Q16236 1/20 0.48
CYP2E1 P05181 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL1963842 0.91 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL23115 0.84 CA2 (0.67) CA12CA1CA2CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL27777905 0.84 CA12 (1.00) CA12CA1CA2CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL29350371 0.84 CA12 (1.00) CA12CA1CA2CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL481491 0.84 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL8402696 0.83 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL7802157 0.81 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL5748457 0.81 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL958654 0.81 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL2002833 0.81 CA12 (0.50) CA12CA1CA2CA7CA9

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 120 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN disclosed
CN-113122269-B Ultraviolet light absorber 光学转变公司 2024-05-28 CN disclosed
CN-112638380-B Cerebellar protein (CRBN) ligands 达纳-法伯癌症研究所有限公司 2024-05-24 CN disclosed
CN-117285524-A Substituted 4-amino isoindoline compounds, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2023-12-26 CN disclosed
CN-115594642-A Az Ji Ruige triazole derivative and application thereof in resisting breast cancer 广西医科大学(CN) 2023-01-13 CN disclosed
CN-113122269-A Ultraviolet light absorber 光学转变公司 2021-07-16 CN disclosed
CN-112888693-A Polycyclic compound and organic electroluminescent device comprising same 出光兴产株式会社 2021-06-01 CN disclosed
CN-107109227-B Ultraviolet light absorber 光学转变公司 2021-05-04 CN disclosed
CN-112638380-A Cereblon (CRBN) ligands 达纳-法伯癌症研究所有限公司 2021-04-09 CN disclosed
CN-112334466-A Compound (I) CTXT私人有限公司 2021-02-05 CN disclosed
US-20030208067-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-11-06 US disclosed
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-10-02 US disclosed
WO-2002096867-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG BIOMEDICAL INSTITUTE (US) 2002-12-05 WO disclosed
EP-1216235-A1 QUINAZOLINONES MERCK PATENT GmbH (DE) 2002-06-26 EP disclosed
EP-1216233-A1 QUINAZOLINONES MERCK PATENT GmbH (DE) 2002-06-26 EP disclosed
EP-1196640-A2 ELECTRON-DEFICIENT NITROGEN HETEROCYCLE-SUBSTITUTED FLUORESCEIN DYES Applera Corporation (US) 2002-04-17 EP disclosed
WO-2001057264-A2 ELECTRON-DEFICIENT NITROGEN HETEROCYCLE-SUBSTITUTED FLUORESCEIN DYES APPLERA CORPORATION (US) 2001-08-09 WO disclosed
US-6221604-B1 CONJUGATED TO SUBSTRATES SUCH AS NUCLEOSIDES OR NUCLEOTIDES AND USED AS DETECTION LABELS IN MOLECULAR BIOLOGY EXPERIMENTS; ENERGY TRANSFER DYE PE CORPORATION 2001-04-24 US disclosed
WO-2001023365-A1 QUINAZOLINONES MERCK PATENT GMBH (DE) 2001-04-05 WO disclosed
WO-2001023364-A1 QUINAZOLINONES MERCK PATENT GMBH (DE) 2001-04-05 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 (2 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-20030208067-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 CA12 4661/4885CA1 4632/4885CA2 2156/4885
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 CA12 4661/4885CA1 4632/4885CA2 2156/4885

“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.