SCHEMBL4640936

SCHEMBL4640936

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.35
ESR2 Q92731 3/20 0.35
AR P10275 1/20 0.33
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
SHBG P04278 1/20 0.30

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
SCHEMBL4640941 0.94 ESR1 (0.32) ESR1ESR2ARGAA
SCHEMBL4641233 0.94 ESR1 (0.32) ESR1ESR2ARGAA
SCHEMBL4640046 0.90 ESR1 (0.35) ESR1ESR2ARGAAMAPK1
SCHEMBL4640049 0.84 GABRP (0.34) ESR1ESR2
SCHEMBL4644128 0.84 HSD17B10 (0.33) GAA
SCHEMBL4640807 0.83 CA1 (0.35) ESR1
SCHEMBL4641161 0.83 TSHR (0.32) ESR1
SCHEMBL4640842 0.83 GRIN2D (0.33) ESR1ESR2MAPK1
SCHEMBL4639955 0.83 MTNR1A (0.33) ESR1ESR2
SCHEMBL4640037 0.79 NPC1 (0.35) ESR1GAA

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 ESR1 168/4885ESR2 224/4885AR 2694/4885

“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.