SCHEMBL209075

SCHEMBL209075

OCc1cc(Cc2ccc(O)c(CO)c2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
PKM P14618 1/20 0.53
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
KLF10 Q13118 1/20 0.50
MAPT P10636 4/20 0.48
IDH1 O75874 1/20 0.48
SHBG P04278 1/20 0.47
KLKB1 P03952 1/20 0.47
CTSB P07858 1/20 0.47
MMP9 P14780 1/20 0.47
DNMT1 P26358 1/20 0.47
DNMT3B Q9UBC3 1/20 0.47
DNMT3L Q9UJW3 1/20 0.47
DNMT3A Q9Y6K1 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 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
SCHEMBL20313914 0.96 MAPT (0.55) CA1CA2CA4CA6PKM
SCHEMBL11683563 0.92 ESR1 (0.56) CA1CA2CA4CA6PKM
SCHEMBL1604304 0.88 PKM (0.55) CA1CA2CA4CA6PKM
SCHEMBL29942487 0.88 PKM (0.55) CA1CA2CA4CA6PKM
Hydrochloric Acid SCHEMBL29565629 0.86 PKM (0.53) CA1CA2CA4CA6PKM
SCHEMBL13761123 0.86 PKM (0.46) CA1CA2CA4CA6PKM
SCHEMBL23864789 0.84 SHBG (0.77) CA1CA2CA4CA6PKM
SCHEMBL13965866 0.84 SHBG (0.47) CA1CA2CA4CA6PKM
SCHEMBL17058715 0.84 CA1 (0.42) CA1CA2CA4CA6PKM
SCHEMBL18044786 0.82 ALOX5 (0.46) CA1CA2CA4CA6PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2175863-A2 SUBSTITUTED NUCLEOSIDE DERIVATIVES WITH ANTIVIRAL AND ANTIMICROBIAL PROPERTIES Eastern Virginia Medical School (US) 2010-04-21 EP claimed
WO-2009009625-A2 SUBSTITUTED NUCLEOSIDE DERIVATIVES WITH ANTIVIRAL AND ANTIMICROBIAL PROPERTIES EASTERN VIRGINIA MEDICAL SCHOOL (US) 2009-01-15 WO claimed
US-20230173077-A1 FATTY ACYL AND FATTY ETHER CONJUGATES OF REMDESIVIR AND ITS ACTIVE METABOLITES AS ANTIVIRALS AJK Biopharmaceutical, LLC 2023-06-08 US disclosed
WO-2021222807-A1 FATTY ACYL AND FATTY ETHER CONJUGATES OF REMDESIVIR AND ITS ACTIVE METABOLITES AS ANTIVIRALS AJK PHARMACEUTICAL LLC (US) 2021-11-04 WO disclosed
US-9738678-B2 Substituted nucleoside derivatives with antiviral and antimicrobial properties EASTERN VIRGINIA MEDICAL SCHOOL (US) 2017-08-22 US disclosed
US-20160311843-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES WITH ANTIVIRAL AND ANTIMICROBIAL PROPERTIES EASTERN VIRGINIA MEDICAL SCHOOL (US) 2016-10-27 US disclosed
US-9296776-B2 Substituted nucleoside derivatives with antiviral and antimicrobial properties EASTERN VIRGINIA MEDICAL SCHOOL (US) 2016-03-29 US disclosed
US-9296776-B2 Substituted nucleoside derivatives with antiviral and antimicrobial properties EASTERN VIRGINIA MEDICAL SCHOOL (US) 2016-03-29 US disclosed
US-RE43067-E1 Method for producing new polynuclear poly(formylphenol) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-01-03 US disclosed
US-20110039798-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES WITH ANTIVIRAL AND ANTIMICROBIAL PROPERTIES EASTERN VIRGINIA MEDICAL SCHOOL (US) 2011-02-17 US disclosed
US-20110039798-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES WITH ANTIVIRAL AND ANTIMICROBIAL PROPERTIES EASTERN VIRGINIA MEDICAL SCHOOL (US) 2011-02-17 US disclosed
US-7875743-B2 such as bis(3-formyl-4-(4-methoxycarbonylphenyl)methoxyphenyl)methane, by reacting bis(hydroxymethyl-hydroxyphenyl)alkane with hexamethylene tetramine in presence of acid and hydrolyzing, then reacting with halogenated alkoxycarbonyl hydrocarbon in presence of base HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-25 US disclosed
US-7750190-B2 reacting hexamethylene tetramine in presence of acid; industrial scale; photoresists HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-07-06 US disclosed
EP-2175863-A2 SUBSTITUTED NUCLEOSIDE DERIVATIVES WITH ANTIVIRAL AND ANTIMICROBIAL PROPERTIES Eastern Virginia Medical School (US) 2010-04-21 EP disclosed
US-20100016633-A1 such as bis(3-formyl-4-(4-methoxycarbonylphenyl)methoxyphenyl)methane, by reacting bis(hydroxymethyl-hydroxyphenyl)alkane with hexamethylene tetramine in presence of acid and hydrolyzing, then reacting with halogenated alkoxycarbonyl hydrocarbon in presence of base HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-01-21 US disclosed
US-20090182175-A1 METHOD FOR PRODUCING NEW POLYNUCLEAR POLY(FORMYLPHENOL) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-07-16 US disclosed
WO-2009009625-A2 SUBSTITUTED NUCLEOSIDE DERIVATIVES WITH ANTIVIRAL AND ANTIMICROBIAL PROPERTIES EASTERN VIRGINIA MEDICAL SCHOOL (US) 2009-01-15 WO disclosed
WO-2009009625-A2 SUBSTITUTED NUCLEOSIDE DERIVATIVES WITH ANTIVIRAL AND ANTIMICROBIAL PROPERTIES EASTERN VIRGINIA MEDICAL SCHOOL (US) 2009-01-15 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 (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-20230173077-A1 FATTY ACYL AND FATTY ETHER CONJUGATES OF REMDESIVIR AND ITS ACTIVE METABOLITES AS ANTIVIRALS ELOVL6, FADS2, FASN CA1 4751/4885CA2 4579/4885CA4 3765/4885
US-20090182175-A1 METHOD FOR PRODUCING NEW POLYNUCLEAR POLY(FORMYLPHENOL) PCBP1, FPR2, PNKP CA1 3768/4885CA2 2699/4885CA4 3455/4885
US-20110039798-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES WITH ANTIVIRAL AND ANTIMICROBIAL PROPERTIES SAMHD1, TLR3, MAVS CA1 4766/4885CA2 4820/4885CA4 4741/4885
US-20160311843-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES WITH ANTIVIRAL AND ANTIMICROBIAL PROPERTIES SAMHD1, TLR3, MAVS CA1 4766/4885CA2 4820/4885CA4 4741/4885
US-20100016633-A1 such as bis(3-formyl-4-(4-methoxycarbonylphenyl)methoxyphenyl)methane, by reacting bis(hydroxymethyl-hydroxyphenyl)alkane with hexamethylene tetramine in presence of acid and hydrolyzing, then reacting with halogenated alkoxycarbonyl hydrocarbon in presence of base PAH, PGM2, HNMT CA1 2391/4885CA2 1204/4885CA4 906/4885

“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.