SCHEMBL4643908

SCHEMBL4643908

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.34
HSD17B10 Q99714 3/20 0.33
TSHR P16473 2/20 0.33
AR P10275 2/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
SOS1 Q07889 1/20 0.31
ELANE P08246 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL4643912 0.94 HSD17B10 (0.40) ESR1HSD17B10TSHRCYP2C9HIF1A
SCHEMBL4639955 0.91 MTNR1A (0.33) ESR1HSD17B10TSHRMEN1KMT2A
SCHEMBL4641161 0.91 TSHR (0.32) ESR1HSD17B10TSHRKDM4ENPSR1
SCHEMBL4640885 0.89 HPGD (0.35) ESR1SOS1MEN1KMT2ATHRA
SCHEMBL4643084 0.85 HSD17B10 (0.36) HSD17B10TSHR
SCHEMBL4639980 0.85 HSD17B10 (0.36) HSD17B10TSHRTHRATHRBMTNR1A
SCHEMBL4639957 0.85 HSD17B10 (0.36) HSD17B10TSHRTHRATHRBMTNR1A
SCHEMBL4641162 0.85 HSD17B10 (0.36) HSD17B10TSHR
SCHEMBL4640890 0.84 HSD17B10 (0.35) HSD17B10TSHRMEN1KMT2ACA12
SCHEMBL4640046 0.84 ESR1 (0.35) ESR1HSD17B10TSHRARELANE

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 168/4885HSD17B10 117/4885TSHR 4817/4885

“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.