SCHEMBL80679

SCHEMBL80679

Sc1ccccc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
DRD1 P21728 2/20 0.40
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL19696748 0.95 CYP3A4 (0.52) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL7598255 0.88 ESR1 (0.42) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL3076493 0.84 MAPT (0.35) CYP3A4TDP1MAPTHDAC8
SCHEMBL10154146 0.82 CYP3A4 (0.44) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL150139 0.81 TDP1 (0.69) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL10154150 0.79 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL8073956 0.78 CYP3A4 (0.65) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL28323816 0.78 CYP3A4 (0.65) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL4146230 0.78 CYP3A4 (0.65) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL29593649 0.74 CYP3A4 (0.58) CYP3A4TDP1ESR1ESR2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4694085-B2 2011-06-01 JP claimed
US-6972320-B2 Ligation method and reagents to form an amide bond WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-12-06 US claimed
EP-1399465-B1 LIGATION METHOD AND REAGENTS TO FORM AN AMIDE BOND WISCONSIN ALUMNI RES FOUND (US) 2005-04-13 EP claimed
US-20040087779-A1 Ligation method and reagents to form an amide bond NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-05-06 US claimed
EP-1399465-A4 LIGATION METHOD AND REAGENTS TO FORM AN AMIDE BOND WISCONSIN ALUMNI RES FOUND (US) 2004-03-31 EP claimed
EP-1399465-A2 LIGATION METHOD AND REAGENTS TO FORM AN AMIDE BOND WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-03-24 EP claimed
JP-2004501103-A 2004-01-15 JP claimed
WO-2001087920-A2 LIGATION METHOD AND REAGENTS TO FORM AN AMIDE BOND WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2001-11-22 WO claimed
CN-108139408-B Protein retention expansion microscopy 麻省理工学院 2020-08-28 CN disclosed
US-10317321-B2 Protein retention expansion microscopy MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-06-11 US disclosed
EP-3332258-A1 PROTEIN RETENTION EXPANSION MICROSCOPY Massachusetts Institute of Technology (US) 2018-06-13 EP disclosed
US-20170089811-A1 Protein Retention Expansion Microscopy NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-30 US disclosed
WO-2017027368-A1 PROTEIN RETENTION EXPANSION MICROSCOPY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-02-16 WO disclosed
US-9269913-B2 Thiolate-bridged multinuclear copper(I) complex SAMSUNG DISPLAY CO., LTD. (KR) 2016-02-23 US disclosed
EP-1399465-A2 LIGATION METHOD AND REAGENTS TO FORM AN AMIDE BOND WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-03-24 EP disclosed
WO-2001087920-A2 LIGATION METHOD AND REAGENTS TO FORM AN AMIDE BOND WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2001-11-22 WO disclosed
EP-0632006-B1 Process for the carbonylation of methanol or a reactive derivative thereof BP CHEM INT LTD (GB) 1998-05-13 EP disclosed
US-5488153-A REACTION OF CARBON MONOXIDE IN THE PRESENCE OF RHODIUM CATALYST WITH BIDENTATE PHOSPHOROUS-SULFUR LIGAND AND HALOGEN PROMOTER BP CHEMICALS LIMITED (GB) 1996-01-30 US disclosed
CN-1105013-A Process for the carbonylation of methanol or a reactive derivatives thereof BP CHEM INT LTD (GB) 1995-07-12 CN disclosed
EP-0632006-A1 Process for the carbonylation of methanol or a reactive derivative thereof BP Chemicals Limited (GB) 1995-01-04 EP 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-20040087779-A1 Ligation method and reagents to form an amide bond PTMS, NAAA, DNPEP CYP3A4 4364/4885TDP1 3991/4885ESR1 3385/4885

“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.