SCHEMBL4642764

SCHEMBL4642764

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37
MYC P01106 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
AKR1B10 O60218 1/20 0.36
TRPA1 O75762 1/20 0.36
ABCB11 O95342 1/20 0.36
DHFR P00374 1/20 0.36
MPO P05164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM1 P11229 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
SCHEMBL4642762 0.91 TSHR (0.39) HPGDALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL4643832 0.87 CLCN2 (0.38) ALDH1A1
SCHEMBL4640471 0.86 PRNP (0.35) HPGDALDH1A1KMT2ATDP1L3MBTL1
SCHEMBL7194622 0.86 PTPN1 (0.43) ALDH1A1KMT2AL3MBTL1TSHRLMNA
SCHEMBL4640133 0.86 PBRM1 (0.40) HPGDALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL4639853 0.86 ALDH1A1 (0.33) ALDH1A1KDM4EKMT2ATDP1CYP3A4
Ethane SCHEMBL4642769 0.82 KDM4E (0.43) HPGDALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL17690443 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2ATDP1CYP3A4
SCHEMBL28856761 0.82 ALDH1A1 (0.43) HPGDALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL31099217 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1CYP3A4L3MBTL1

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 HPGD 9/4885ALDH1A1 725/4885KDM4E 4127/4885

“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.