SCHEMBL4640116

SCHEMBL4640116

CCCCC(OC(=O)c1cc(C)c(Br)cc1C(=O)O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
CTSK P43235 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MCL1 Q07820 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCD Q05655 1/20 0.32
ESR1 P03372 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
POLB P06746 1/20 0.31
RARB P10826 1/20 0.31

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
SCHEMBL4640760 1.00 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10CTSLCTSB
SCHEMBL4640759 0.95 ALDH1A1 (0.36) ALDH1A1TSHRCTSLCTSBCTSH
SCHEMBL4641128 0.92 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10CTSLCTSB
SCHEMBL4639941 0.91 ALDH1A1 (0.45) ALDH1A1TSHRCTSLCTSBCTSH
SCHEMBL4640873 0.88 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10CTSLCTSB
SCHEMBL4639907 0.88 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10CTSLCTSB
SCHEMBL4639905 0.87 L3MBTL1 (0.37) ALDH1A1TSHRHSD17B10L3MBTL1MEN1
SCHEMBL4640089 0.87 L3MBTL1 (0.37) ALDH1A1TSHRHSD17B10L3MBTL1MEN1
SCHEMBL4641126 0.87 ALDH1A1 (0.39) ALDH1A1TSHRCTSLCTSBCTSH
SCHEMBL4641178 0.87 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10CTSLCTSB

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 725/4885TSHR 4817/4885HSD17B10 117/4885

“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.