SCHEMBL4640037

SCHEMBL4640037

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ESR1 P03372 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 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

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
SCHEMBL4640039 0.94 MEN1 (0.41) SMN1; SMN2KMT2AMEN1
SCHEMBL4640842 0.91 GRIN2D (0.33) NPC1MAPTCASP3RAB9ASMN1; SMN2
SCHEMBL4640807 0.91 CA1 (0.35) NPC1MAPTCASP3RAB9ASMN1; SMN2
SCHEMBL4640885 0.89 HPGD (0.35) NPC1MAPTCASP3RAB9ASMN1; SMN2
SCHEMBL4639979 0.89 ESR1 (0.38) MAPTKMT2AMEN1ESR1
SCHEMBL4640809 0.85 MEN1 (0.36) SMN1; SMN2KMT2AMEN1CA1CA2
SCHEMBL4640845 0.85 MEN1 (0.36) SMN1; SMN2KMT2AMEN1CA1CA2
SCHEMBL4643394 0.85 MEN1 (0.36) SMN1; SMN2KMT2AMEN1CA1CA2
SCHEMBL4641133 0.85 MEN1 (0.36) SMN1; SMN2KMT2AMEN1CA1CA2
SCHEMBL4640890 0.84 HSD17B10 (0.35) KMT2AMEN1CA1CA2CA12

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 NPC1 3661/4885MAPT 814/4885CASP3 3845/4885

“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.