SCHEMBL4067388

SCHEMBL4067388

COc1cc(OC)cc(C(C)(C)OC(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
PTGS1 P23219 1/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
RXRA P19793 1/20 0.37
NQO2 P16083 1/20 0.36
ABL1 P00519 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
RIN1 Q13671 1/20 0.36

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
SCHEMBL907993 0.83 GAA (0.39) ALDH1A1GAAKDM4ECYP3A4USP2
SCHEMBL152720 0.83 ALDH1A1 (0.41) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL3293195 0.83 ALDH1A1 (0.41) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL16226047 0.83 ALDH1A1 (0.41) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL17453245 0.81 MAPT (0.50) ALDH1A1KDM4ECA1CA2KMT2A
SCHEMBL7745390 0.80 GAA (0.39) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL25564048 0.80 TRPV1 (0.37) PTGS1
SCHEMBL28194094 0.80 ALDH1A1 (0.38) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL11307727 0.79 CA1 (0.39) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL13707130 0.79 ALDH1A1 (0.37) ALDH1A1GAAKDM4ECA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210206809-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY VERA THERAPEUTICS INC (US) 2021-07-08 US disclosed
US-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 US disclosed
US-20190055190-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY AND NOVEL INTERMEDIATES AND METHODS RELATED THERETO NEUBASE THERAPEUTICS, INC. 2019-02-21 US disclosed
US-20160367091-A9 Personal Care Compositions Comprising a Di-Amido Gellant and Methods of Using THE PROCTER & GAMBLE COMPANY 2016-12-22 US disclosed
US-9334465-B2 Structuring using an external structurant and a cosmotrope THE PROCTER & GAMBLE COMPANY (US) 2016-05-10 US disclosed
US-9334465-B2 Structuring using an external structurant and a cosmotrope THE PROCTER & GAMBLE COMPANY (US) 2016-05-10 US disclosed
US-9091920-B2 Photosensitive siloxane resin composition MERCK PATENT GMBH (DE) 2015-07-28 US disclosed
US-20140179591-A1 STRUCTURING USING AN EXTERNAL STRUCTURANT AND A COSMOTROPE THE PROCTER & GAMBLE COMPANY (US) 2014-06-26 US disclosed
US-20140179591-A1 STRUCTURING USING AN EXTERNAL STRUCTURANT AND A COSMOTROPE THE PROCTER & GAMBLE COMPANY (US) 2014-06-26 US disclosed
EP-2746377-A1 Improved structuring using an external structurant and a cosmotrope The Procter & Gamble Company (US) 2014-06-25 EP disclosed
EP-2570474-A1 Stable water-soluble unit dose articles The Procter and Gamble Company (US) 2013-03-20 EP disclosed
US-20130065811-A1 STABLE WATER-SOLUBLE UNIT DOSE ARTICLE THE PROCTER & GAMBLE COMPANY 2013-03-14 US disclosed
US-8309507-B2 Processes for making fluid detergent compositions comprising a di-amido gellant THE PROCTER & GAMBLE COMPANY (US) 2012-11-13 US disclosed
US-8207107-B2 Di-amido gellant for use in consumer product compositions THE PROCTER & GAMBLE COMPANY (US) 2012-06-26 US disclosed
US-20120151881-A1 PROCESSES FOR MAKING FLUID DETERGENT COMPOSITIONS COMPRISING A DI-AMIDO GELLANT FERNANDEZ PRIETO SUSANA (ES) 2012-06-21 US disclosed
US-8168579-B2 Fluid detergent compositions comprising a di-amido gellant, and processes for making THE PROCTER AND GAMBLE COMPANY (US) 2012-05-01 US disclosed
US-20110224455-A1 Di-Amido Gellant For Use In Consumer Product Compositions THE PROCTER & GAMBLE COMPANY 2011-09-15 US disclosed
US-20110224455-A1 Di-Amido Gellant For Use In Consumer Product Compositions THE PROCTER & GAMBLE COMPANY 2011-09-15 US disclosed
US-20110220536-A1 Fluid Detergent Compositions Comprising a Di-Amido Gellant, and Processes for Making THE PROCTER & GAMBLE COMPANY 2011-09-15 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 (5 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-20190055190-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY AND NOVEL INTERMEDIATES AND METHODS RELATED THERETO TARBP1, TIA1, SSB ALDH1A1 4569/4885GAA 1406/4885KDM4E 3859/4885
US-20110224455-A1 Di-Amido Gellant For Use In Consumer Product Compositions DAGLA, GNPAT, CDIPT ALDH1A1 1506/4885GAA 661/4885KDM4E 4312/4885
US-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF DNPEP, PEPD, ANPEP ALDH1A1 4718/4885GAA 685/4885KDM4E 4843/4885
US-20210206809-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY AGO2, TARBP1, TPR ALDH1A1 4394/4885GAA 1285/4885KDM4E 3560/4885
US-20130065811-A1 STABLE WATER-SOLUBLE UNIT DOSE ARTICLE IDUA, AQP1, DLST ALDH1A1 3400/4885GAA 3108/4885KDM4E 4761/4885

“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.