SCHEMBL4640571

SCHEMBL4640571

CCCCCC(C)(C)OC(=O)c1cccc(Cl)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.41
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.37
PBRM1 Q86U86 1/20 0.37
PPARA Q07869 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
PPARG P37231 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 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
SCHEMBL4640569 0.92 TSHR (0.39) PLK1TSHRTP53CYP3A4MAPK1
SCHEMBL4640133 0.91 PBRM1 (0.40) PLK1TSHRTP53CYP3A4HPGD
SCHEMBL4640027 0.85 PTPN1 (0.48) PLK1TSHRTP53CYP3A4MAPK1
SCHEMBL4640911 0.85 TSHR (0.38) TSHRTP53CYP3A4MAPK1PPARA
SCHEMBL4640076 0.85 TSHR (0.38) TSHRTP53CYP3A4MAPK1PPARA
SCHEMBL4640131 0.83 ADRB2 (0.38) TSHRMAPK1HPGDALDH1A1LMNA
SCHEMBL1014228 0.81 ALDH1A1 (0.53) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL1014226 0.81 TSHR (0.56) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL8904304 0.80 ALDH1A1 (0.56) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL8904300 0.80 ALDH1A1 (0.57) TSHRTP53CYP3A4MAPK1ALDH1A1

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 PLK1 3720/4885TSHR 4817/4885TP53 3298/4885

“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.