SCHEMBL504691

SCHEMBL504691

COc1cc(OC)c(I)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CYP1A2 P05177 9/20 0.45
CYP3A4 P08684 6/20 0.45
CYP1A1 P04798 8/20 0.43
CYP1B1 Q16678 8/20 0.43
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ERN1 O75460 1/20 0.42
NQO2 P16083 1/20 0.41
CYP2C19 P33261 3/20 0.39
CYP2E1 P05181 2/20 0.39
CYP2C8 P10632 2/20 0.39
CYP2D6 P10635 2/20 0.39

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
SCHEMBL17924627 0.85 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2CA7
SCHEMBL10051169 0.85 NQO2 (0.44) ALDH1A1CA12CA1CA2CA7
SCHEMBL1425712 0.84 ALDH1A1 (0.42) ALDH1A1CA12CA1CA2CA7
Trifluoroacetic Acid SCHEMBL28276816 0.80 USP2 (0.42) CYP1A2CYP3A4CYP1A1CYP1B1MAPK1
SCHEMBL15728769 0.80 TUBB4A (0.44) ALDH1A1CA12CA1CA2CA7
SCHEMBL27743867 0.80 MAPT (0.38) ALDH1A1CA12CA1CA2CA7
SCHEMBL12151714 0.79 PDE4A (0.47) ALDH1A1CA12CA1CA2CA7
SCHEMBL19934847 0.79 AR (0.44) ALDH1A1CA12CA1CA2CA7
SCHEMBL28761010 0.78 ACHE (0.59) ALDH1A1CA12CA1CA2CA7
Difucol Hexamethyl Ether SCHEMBL505203 0.77 CYP1A2 (0.60) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106748604-B Method for synthesizing mono-iodo aromatic hydrocarbon or di-iodo aromatic hydrocarbon based on decarboxylation of aromatic carboxylic acid 湘潭大学 2020-06-05 CN claimed
CN-109293541-A A kind of visible light catalytic prepares alpha-aromatic-γ-methylsulfinyl ketone compounds method 闽南师范大学 2019-02-01 CN claimed
CN-111225648-B Photocurable dental compositions 登特斯普伊德特雷有限公司 2023-03-31 CN disclosed
CN-114401975-A Novel onium salt and photoacid generator 三亚普罗股份有限公司 2022-04-26 CN disclosed
CN-112867748-A Ultrafast cyclic ether-amine polyaddition and use thereof 上阿尔萨斯大学 2021-05-28 CN disclosed
WO-2021053993-A1 ACID GENERATOR AND CURABLE COMPOSITION CONTAINING SAME サンアプロ株式会社 2021-03-25 WO disclosed
CN-106748604-B Method for synthesizing mono-iodo aromatic hydrocarbon or di-iodo aromatic hydrocarbon based on decarboxylation of aromatic carboxylic acid 湘潭大学 2020-06-05 CN disclosed
CN-107325002-B Method for synthesizing aryl halide by taking aryl carboxylic acid as raw material 南昌大学 2020-03-27 CN disclosed
US-9273021-B2 Dibenzofuran derivatives as inhibitors of fructose 1,6-bisphosphatase and methods of use thereof TRUSTEES OF BOSTON COLLEGE (US) 2016-03-01 US disclosed
US-9273021-B2 Dibenzofuran derivatives as inhibitors of fructose 1,6-bisphosphatase and methods of use thereof TRUSTEES OF BOSTON COLLEGE (US) 2016-03-01 US disclosed
CN-102875275-B Method for preparing aryl nitrile by aryl halogenide UNIV ZHEJIANG 2014-08-06 CN disclosed
US-7122694-B2 Hydroboronation process BORON MOLECULAR PTY LIMITED (AU) 2006-10-17 US disclosed
EP-1127060-B8 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2005-01-05 EP disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 WO disclosed
US-20040133028-A1 Hydroboronation process COMMONWEALTH SCIENTIFIC 2004-07-08 US disclosed
EP-1127060-B1 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2004-04-07 EP disclosed
US-6680401-B1 BORON COMPOUNDS SUCH AS 4-(METHOXYMETHYL)-1,3,2-DIOXABOROLANE, USED AS COUPLERS OR CHEMICAL INTERMEDIATES FOR DRUGS, PESTICIDES OR IN COMBINATORIAL CHEMISTRY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-01-20 US disclosed
EP-1127060-A4 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2002-08-21 EP disclosed
EP-1127060-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-08-29 EP disclosed
WO-2000027853-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-05-18 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-20040133028-A1 Hydroboronation process ALKBH3, HPD, HVCN1 ALDH1A1 994/4885CA12 900/4885CA1 2357/4885

“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.