SCHEMBL4640461

SCHEMBL4640461

CCCCC(OC(=O)c1ccc(Br)cc1C(=O)OC(CCCC)C(C)(C)C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 2/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
CYP3A4 P08684 2/20 0.37
CA2 P00918 1/20 0.37
ATM Q13315 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
CTSK P43235 4/20 0.36
ACHE P22303 1/20 0.34
HTR4 Q13639 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4640464 0.94 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1HPGDTHRB
SCHEMBL4639934 0.86 HPGD (0.40) ALDH1A1TSHRMAPK1HPGDTHRB
SCHEMBL4643103 0.86 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1THRBCYP3A4
SCHEMBL4640011 0.85 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL4640109 0.85 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL4641188 0.84 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL4640726 0.84 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL4640863 0.84 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1HPGDTHRB
SCHEMBL4641263 0.83 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL4639856 0.83 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1HPGDTHRB

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 4817/4885MAPK1 921/4885

“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.