SCHEMBL4640131

SCHEMBL4640131

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
POLB P06746 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
CTSK P43235 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.35
ELANE P08246 1/20 0.34
TSHR P16473 1/20 0.33
FEN1 P39748 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL4640133 0.92 PBRM1 (0.40) ADRB2ADRB1ADRB3POLBTAS1R3
SCHEMBL4640569 0.91 TSHR (0.39) ADRB2ADRB1ADRB3POLBTAS1R3
SCHEMBL4642762 0.85 TSHR (0.39) ADRB2ADRB1ADRB3POLBTAS1R3
SCHEMBL4643830 0.84 GABRA1 (0.38) CTSKALDH1A1LMNATSHRMAPK1
SCHEMBL7194617 0.83 KMT2A (0.40) ADRB2ADRB1ADRB3POLBALDH1A1
SCHEMBL4639852 0.83 ALDH1A1 (0.35) ALDH1A1LMNAELANETSHRMAPK1
SCHEMBL4640468 0.83 ALDH1A1 (0.35) ALDH1A1LMNAHPGDTSHRNPC1
SCHEMBL4640571 0.83 PLK1 (0.41) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL31099217 0.81 ALDH1A1 (0.52) ALDH1A1LMNATSHRNPC1MAPK1
SCHEMBL4642764 0.80 HPGD (0.39) POLBALDH1A1LMNAHPGDTSHR

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 ADRB2 3492/4885ADRB1 3114/4885ADRB3 3456/4885

“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.