SCHEMBL4627422

SCHEMBL4627422

CCOC(=O)c1cc(CC)c(Br)c(CCCC(C)C)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.37
PDE3A Q14432 4/20 0.37
ALOX15 P16050 3/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
MAPK1 P28482 3/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRB2 P47870 2/20 0.33
GAA P10253 2/20 0.33
THRB P10828 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 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
SCHEMBL4628601 0.91 ATM (0.40) TSHRALDH1A1MAPK1GABRA1GABRB1
SCHEMBL4628151 0.89 ALOX15 (0.36) PDE3BPDE3AALOX15TSHRALDH1A1
SCHEMBL4628675 0.88 ALOX15 (0.37) PDE3BPDE3AALOX15TSHRALDH1A1
SCHEMBL4627448 0.88 ALDH1A1 (0.36) PDE3BPDE3AALOX15TSHRALDH1A1
SCHEMBL4627365 0.88 TSHR (0.36) PDE3BPDE3AALOX15TSHRALDH1A1
SCHEMBL4626448 0.86 ALDH1A1 (0.40) PDE3BPDE3ATSHRALDH1A1SMN1; SMN2
SCHEMBL4627328 0.86 NPSR1 (0.36) ALOX15TSHRALDH1A1SMN1; SMN2GRIN2D
SCHEMBL4626737 0.84 KDM4E (0.36) ALOX15TSHRALDH1A1SMN1; SMN2GRIN2D
SCHEMBL4625772 0.83 GRIN2D (0.38) ALOX15TSHRALDH1A1SMN1; SMN2GRIN2D
SCHEMBL4628281 0.82 ALOX15 (0.37) PDE3BPDE3AALOX15TSHRALDH1A1

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 8 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
EP-1209172-B1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO LTD (JP) 2008-07-02 EP disclosed
US-6770586-B2 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD. (JP) 2004-08-03 US 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-20030130109-A1 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD (JP) 2003-07-10 US disclosed
US-20030036594-A1 Phthalic diester derivatives and electron donors TOHO TITANIUM CO., LTD. (JP) 2003-02-20 US disclosed
EP-1209172-A1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION Toho Titanium Co., Ltd. (JP) 2002-05-29 EP 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 PDE3B 4444/4885PDE3A 4120/4885ALOX15 158/4885

“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.