SCHEMBL4184562

SCHEMBL4184562

Cc1c(O)cc(C(=O)O)c(C(=O)O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
CSNK2A1 P68400 1/20 0.45
ACHE P22303 1/20 0.45
ALDH1A1 P00352 2/20 0.42
LDHA P00338 2/20 0.41
LDHB P07195 2/20 0.41
MYC P01106 2/20 0.41
MCL1 Q07820 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
ALOX5 P09917 1/20 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
SCHEMBL5268292 0.83 CYP3A4 (0.50) CYP3A4CSNK2A1ACHEALDH1A1LDHA
SCHEMBL841683 0.83 CYP3A4 (0.45) CYP3A4CSNK2A1ACHEALDH1A1LDHA
SCHEMBL14156171 0.82 CYP3A4 (0.54) CYP3A4CSNK2A1ACHEALDH1A1LDHA
SCHEMBL31335714 0.82 CYP3A4 (0.54) CYP3A4CSNK2A1ACHEALDH1A1LDHA
SCHEMBL14989172 0.82 KDM4E (0.47) CYP3A4CSNK2A1ACHEALDH1A1LDHA
SCHEMBL31373145 0.82 KDM4E (0.47) CYP3A4CSNK2A1ACHEALDH1A1LDHA
SCHEMBL756616 0.81 KDM4E (0.45) CYP3A4CSNK2A1ACHEALDH1A1LDHA
SCHEMBL10663487 0.80 KDM4E (0.44) CYP3A4CSNK2A1ACHEALDH1A1LDHA
SCHEMBL11083912 0.80 THRB (0.48) CSNK2A1ALDH1A1MYCMCL1KDM4E
SCHEMBL28669355 0.80 CYP3A4 (0.57) CYP3A4ACHEALDH1A1LDHALDHB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032733-B Fluorine-containing ether compound, fluorine-containing ether composition, coating liquid, article, and method for producing same AGC株式会社 2022-06-21 CN disclosed
CN-111032733-A Fluorine-containing ether compound, fluorine-containing ether composition, coating liquid, article, and method for producing same AGC株式会社 2020-04-17 CN disclosed
US-20150087601-A1 POLYMER MICELLE COMPLEX INCLUDING NUCLEIC ACID THE UNIVERSITY OF TOKYO (JP) 2015-03-26 US disclosed
US-20130216480-A1 AMPHIPHILIC POLYMERS AND METHODS OF USE THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-22 US disclosed
US-8349991-B2 Amphiphilic polymers and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-01-08 US disclosed
US-20090018216-A1 POLYMER MICELLE COMPLEX INCLUDING NUCLEIC ACID THE UNIVERSITY OF TOKYO (JP) 2009-01-15 US disclosed
EP-1879626-A2 AMPHIPHILIC POLYMERS AND METHODS OF USE THEREOF Massachusetts Institute of Technology (US) 2008-01-23 EP disclosed
US-20060269479-A1 Amphiphilic polymers and methods of use thereof UNIVERSITY OF MASSACHUSETTS LOWELL 2006-11-30 US disclosed
WO-2006113666-A2 AMPHIPHILIC POLYMERS AND METHODS OF USE THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-26 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-20060269479-A1 Amphiphilic polymers and methods of use thereof ABCB4, ANXA3, ANXA5 CYP3A4 4749/4885CSNK2A1 4641/4885ACHE 4047/4885
US-20150087601-A1 POLYMER MICELLE COMPLEX INCLUDING NUCLEIC ACID XRCC6, XRCC5, TLR9 CYP3A4 4786/4885CSNK2A1 490/4885ACHE 4734/4885
US-20130216480-A1 AMPHIPHILIC POLYMERS AND METHODS OF USE THEREOF ABCB4, ANXA3, ANXA5 CYP3A4 4749/4885CSNK2A1 4641/4885ACHE 4047/4885
US-20090018216-A1 POLYMER MICELLE COMPLEX INCLUDING NUCLEIC ACID XRCC6, XRCC5, TLR9 CYP3A4 4786/4885CSNK2A1 490/4885ACHE 4734/4885

“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.