SCHEMBL4639853

SCHEMBL4639853

CCCC(C)(C)OC(=O)c1cccc(I)c1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
PTPN1 P18031 1/20 0.32
PPARA Q07869 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BID P55957 1/20 0.31
BCL2L1 Q07817 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL4639852 0.92 ALDH1A1 (0.35) ALDH1A1TSHRL3MBTL1TDP1CA12
SCHEMBL4640911 0.91 TSHR (0.38) ALDH1A1TSHRL3MBTL1TDP1PTPN1
SCHEMBL4642764 0.86 HPGD (0.39) ALDH1A1TSHRL3MBTL1ALOX15TDP1
SCHEMBL4643832 0.85 CLCN2 (0.38) ALDH1A1PPARABIDBCL2L1MCL1
SCHEMBL7194622 0.84 PTPN1 (0.43) ALDH1A1TSHRL3MBTL1PTPN1KMT2A
SCHEMBL4640471 0.84 PRNP (0.35) ALDH1A1TSHRL3MBTL1ALOX15TDP1
SCHEMBL4640133 0.84 PBRM1 (0.40) ALDH1A1TSHRTP53CYP3A4KDM4E
SCHEMBL4640905 0.83 TSHR (0.39) ALDH1A1TSHRL3MBTL1TDP1PPARA
Ethane SCHEMBL4639855 0.81 GRM6 (0.36) ALDH1A1TSHRALOX15TDP1CA12
SCHEMBL4642762 0.80 TSHR (0.39) ALDH1A1TSHRL3MBTL1TDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188739-B1 PHTHALIC DIESTER DERIVATIVES AND ELECTRON DONORS TOHO TITANIUM CO LTD (JP) 2008-08-13 EP disclosed
US-6670497-B2 Dialkyl (at least one of which is a C4-8 tertiary alkyl) ester of an alkyl- or halo-substituted phthalic acid; used in an olefin polymerization catalyst TOHO TITANIUM CO., LTD. (JP) 2003-12-30 US disclosed
US-20030036594-A1 Phthalic diester derivatives and electron donors TOHO TITANIUM CO., LTD. (JP) 2003-02-20 US disclosed
EP-1188739-A1 PHTHALIC DIESTER DERIVATIVES AND ELECTRON DONORS TOHO TITANIUM CO., LTD. (JP) 2002-03-20 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-20030036594-A1 Phthalic diester derivatives and electron donors HPD, ETFA, PPOX ALDH1A1 725/4885TSHR 4817/4885L3MBTL1 4720/4885

“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.