SCHEMBL4640087

SCHEMBL4640087

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
MCL1 Q07820 1/20 0.32
STING1 Q86WV6 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
RAB9A P51151 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
CA14 Q9ULX7 2/20 0.30
TSHR P16473 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
SCHEMBL4639905 0.94 L3MBTL1 (0.37) L3MBTL1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL4640089 0.94 L3MBTL1 (0.37) L3MBTL1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL7194558 0.91 L3MBTL1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL4640759 0.86 ALDH1A1 (0.36) L3MBTL1ALDH1A1SMN1; SMN2LMNACA2
SCHEMBL4640681 0.85 HSD17B10 (0.40) L3MBTL1ALDH1A1KMT2AMEN1MCL1
SCHEMBL4640062 0.85 L3MBTL1 (0.37) L3MBTL1SMN1; SMN2CA12CA1CA2
SCHEMBL4640639 0.84 L3MBTL1 (0.36) L3MBTL1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL7199319 0.83 L3MBTL1 (0.33) L3MBTL1ALDH1A1KDM4ECA12CA1
SCHEMBL4639995 0.83 ALDH1A1 (0.37) L3MBTL1ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL4639929 0.82 UTS2R (0.34) L3MBTL1LMNAHPGDKMT2AMEN1

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 L3MBTL1 4720/4885ALDH1A1 725/4885SMN1; SMN2 4567/4885

“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.