SCHEMBL4640807

SCHEMBL4640807

CCCC(C)(C)OC(=O)c1cc(C)c(Cl)cc1C(=O)OC(C)(C)CCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA12 O43570 4/20 0.35
CA9 Q16790 4/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
MAPT P10636 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL4643394 0.94 MEN1 (0.36) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL4640809 0.94 MEN1 (0.36) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL4640037 0.91 NPC1 (0.35) CA1CA2CA12CA9NPC1
SCHEMBL4640039 0.85 MEN1 (0.41) SMN1; SMN2TSHRALDH1A1
SCHEMBL4640842 0.85 GRIN2D (0.33) CA1CA2CA12CA9NPC1
SCHEMBL4640885 0.84 HPGD (0.35) CA1CA2CA12CA9NPC1
SCHEMBL4644128 0.83 HSD17B10 (0.33) HPGDCYP2C9CYP2C19TSHRMCL1
SCHEMBL4640936 0.83 ESR1 (0.35) ESR1
SCHEMBL4641161 0.82 TSHR (0.32) RAB9ASMN1; SMN2HPGDTSHRALDH1A1
SCHEMBL4640845 0.80 MEN1 (0.36) CA1CA2CA12CA9SMN1; SMN2

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 CA1 3188/4885CA2 2590/4885CA12 2609/4885

“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.