SCHEMBL4070722

SCHEMBL4070722

CC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
BACE1 P56817 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.42
PTPN5 P54829 1/20 0.42
KMT2A Q03164 1/20 0.41
KIF11 P52732 1/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CYP2C19 P33261 2/20 0.40
RAB9A P51151 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
RXRA P19793 1/20 0.40

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
SCHEMBL4185138 0.92 KIF11 (0.39) CYP2C9MAPTSMN1; SMN2BACE1ALDH1A1
SCHEMBL42458 0.88 ALDH1A1 (0.56) MAPTALDH1A1ALOX15MAPK1KMT2A
SCHEMBL305335 0.86 ALDH1A1 (0.39) CYP2C9MAPTSMN1; SMN2ALDH1A1ALOX15
SCHEMBL13839048 0.84 CYP2C9 (0.47) CYP2C9MAPTSMN1; SMN2ALDH1A1ALOX15
SCHEMBL78396 0.84 MAPT (0.48) CYP2C9MAPTSMN1; SMN2ALDH1A1ALOX15
SCHEMBL3290659 0.84 CYP2C9 (0.47) CYP2C9MAPTSMN1; SMN2ALDH1A1ALOX15
SCHEMBL16858286 0.83 CYP2C9 (0.43) CYP2C9MAPTSMN1; SMN2BACE1ALDH1A1
SCHEMBL1751011 0.82 CYP2C9 (0.46) CYP2C9MAPTSMN1; SMN2BACE1PTPN5
SCHEMBL21886974 0.81 CYP2C9 (0.44) CYP2C9MAPTSMN1; SMN2ALDH1A1ALOX15
SCHEMBL13840143 0.81 MAPT (0.47) CYP2C9MAPTSMN1; SMN2ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021136808-A1 CONJUGATES UNDERGOING INTRAMOLECULAR REARRANGEMENTS ASCENDIS PHARMA A/S (DK) 2021-07-08 WO disclosed
US-20210206809-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY VERA THERAPEUTICS INC (US) 2021-07-08 US disclosed
EP-2813512-B1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI PHARMACEUTICAL CO LTD (JP) 2021-03-31 EP 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-20160367091-A9 Personal Care Compositions Comprising a Di-Amido Gellant and Methods of Using THE PROCTER & GAMBLE COMPANY 2016-12-22 US disclosed
EP-2365050-B1 DI-AMIDO GELLANT FOR USE IN CONSUMER PRODUCT COMPOSITIONS PROCTER & GAMBLE (US) 2016-08-10 EP 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
WO-2014099852-A1 IMPROVED STRUCTURING USING AN EXTERNAL STRUCTURANT AND A COSMOTROPE THE PROCTER & GAMBLE COMPANY (US) 2014-06-26 WO 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-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-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-20110220536-A1 Fluid Detergent Compositions Comprising a Di-Amido Gellant, and Processes for Making 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
US-20110224455-A1 Di-Amido Gellant For Use In Consumer Product Compositions THE PROCTER & GAMBLE COMPANY 2011-09-15 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
WO-2009077173-A2 DNA-ENCODED CHEMICAL LIBRARIES PHILOCHEM AG (CH) 2009-06-25 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 (4 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 CYP2C9 4524/4885MAPT 2325/4885SMN1; SMN2 506/4885
US-20110224455-A1 Di-Amido Gellant For Use In Consumer Product Compositions DAGLA, GNPAT, CDIPT CYP2C9 555/4885MAPT 1057/4885SMN1; SMN2 3740/4885
US-20210206809-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY AGO2, TARBP1, TPR CYP2C9 4085/4885MAPT 2695/4885SMN1; SMN2 840/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 CYP2C9 392/4885MAPT 3478/4885SMN1; SMN2 3574/4885

“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.