SCHEMBL4644332

SCHEMBL4644332

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TSHR P16473 4/20 0.43
MAPK1 P28482 2/20 0.43
CA2 P00918 3/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36
CTSK P43235 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4644335 0.93 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1CA2CYP3A4
SCHEMBL4640658 0.86 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1CA2CYP3A4
SCHEMBL4639936 0.85 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1CA2CYP3A4
SCHEMBL4639917 0.85 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1CA2CYP3A4
SCHEMBL4639856 0.85 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1CA2CYP3A4
SCHEMBL4640242 0.83 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1CA2CYP3A4
SCHEMBL4639887 0.82 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1CA2CYP3A4
SCHEMBL4640109 0.82 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1CA2CYP3A4
SCHEMBL4640631 0.81 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1CA2CYP3A4
SCHEMBL4641126 0.81 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1CA2CYP3A4

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.