SCHEMBL4640698

SCHEMBL4640698

CCCCC(OC(=O)c1cc(Cl)c(CC)cc1C(=O)OC(CCCC)C(C)(C)C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 2/20 0.34
TSHR P16473 1/20 0.34
CTSK P43235 5/20 0.34
ESR1 P03372 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.30
XBP1 P17861 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4640703 0.95 ALDH1A1 (0.38) ALDH1A1MAPK1TSHRCTSKMEN1
SCHEMBL4641177 0.92 ALDH1A1 (0.36) ALDH1A1MAPK1TSHRCTSKESR1
SCHEMBL4640233 0.90 ALDH1A1 (0.37) ALDH1A1MAPK1TSHRCTSKPRKCA
SCHEMBL4640612 0.87 UTS2R (0.36) ALDH1A1MAPK1TSHRCTSKESR1
SCHEMBL4641181 0.87 MEN1 (0.42) ALDH1A1MAPK1TSHRCTSKESR1
SCHEMBL4640671 0.86 GRIN2D (0.32) UTS2RMEN1KMT2A
SCHEMBL4640235 0.85 ALDH1A1 (0.41) ALDH1A1MAPK1TSHRCTSKPRKCA
SCHEMBL4640432 0.85 ALDH1A1 (0.34) ALDH1A1MAPK1TSHRCTSKESR1
SCHEMBL4640928 0.84 ALDH1A1 (0.34) ALDH1A1MAPK1TSHRCTSKESR1
SCHEMBL4641263 0.83 ALDH1A1 (0.38) ALDH1A1MAPK1TSHRCTSKESR1

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 725/4885MAPK1 921/4885TSHR 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.