SCHEMBL4640163

SCHEMBL4640163

CCCCCC(C)(C)OC(=O)c1ccc(Br)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SORT1 Q99523 2/20 0.36
MYC P01106 1/20 0.36
NR4A1 P22736 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR3 Q99500 1/20 0.36
PTPN11 Q06124 1/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL4640160 0.93 HPGD (0.40) POLBAKR1C2AKR1C1THRBHPGD
SCHEMBL4639901 0.91 POLB (0.42) POLBAKR1C2AKR1C1KDM4EGLA
SCHEMBL4642938 0.85 TSHR (0.37) POLBTHRBPPARAPPARGALDH1A1
SCHEMBL4640854 0.85 ALDH1A1 (0.48) POLBKDM4EPPARAPPARGALDH1A1
SCHEMBL4640012 0.85 PPARA (0.38) KDM4EPPARAPPARGALDH1A1S1PR3
SCHEMBL4643243 0.85 RARB (0.40) PPARAPPARGALDH1A1TP53CYP3A4
SCHEMBL4639899 0.84 HPGD (0.38) POLBTHRBHPGDHTTATM
SCHEMBL1014228 0.82 ALDH1A1 (0.53) KDM4EALDH1A1PTPN11TP53CYP3A4
SCHEMBL19847013 0.82 ATM (0.39) POLBTHRBHPGDHTTATM
SCHEMBL8904304 0.81 ALDH1A1 (0.56) POLBKDM4EALDH1A1PTPN11TP53

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 POLB 598/4885AKR1C2 1103/4885AKR1C1 1139/4885

“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.