SCHEMBL4640468

SCHEMBL4640468

CCCC(C)(C)OC(=O)c1cccc(Br)c1C(=O)OC(C)(C)CCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 4/20 0.33
F2R P25116 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 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
SCHEMBL4640471 0.92 PRNP (0.35) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL4642762 0.85 TSHR (0.39) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL4643830 0.84 GABRA1 (0.38) ALDH1A1HTTTSHRF2RTDP1
SCHEMBL7194617 0.83 KMT2A (0.40) ALDH1A1KMT2ATSHRTDP1LMNA
SCHEMBL4639852 0.83 ALDH1A1 (0.35) ALDH1A1TSHRTDP1L3MBTL1TP53
SCHEMBL4640131 0.83 ADRB2 (0.38) ALDH1A1NPC1RAB9ATSHRTDP1
SCHEMBL4640076 0.83 TSHR (0.38) ALDH1A1TSHRTDP1L3MBTL1TP53
SCHEMBL7589287 0.82 KMT2A (0.46) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL31099217 0.81 ALDH1A1 (0.52) ALDH1A1NPC1TSHRTDP1L3MBTL1
SCHEMBL4642764 0.80 HPGD (0.39) ALDH1A1KMT2AMEN1TSHRTDP1

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 ALDH1A1 725/4885NPC1 3661/4885RAB9A 4158/4885

“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.