SCHEMBL4640694

SCHEMBL4640694

CCCCC(OC(=O)c1cccc(Cl)c1C(=O)OC(CCCC)C(C)(C)C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CTSK P43235 5/20 0.39
CYP3A4 P08684 2/20 0.39
CA2 P00918 1/20 0.39
HPGD P15428 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL4640701 0.93 ALDH1A1 (0.43) ALDH1A1CTSKCYP3A4CA2HPGD
SCHEMBL4643283 0.86 ALDH1A1 (0.40) ALDH1A1CTSKCYP3A4CA2UTS2R
SCHEMBL4642985 0.86 ALDH1A1 (0.40) ALDH1A1CTSKCYP3A4CA2UTS2R
SCHEMBL4639996 0.85 ALDH1A1 (0.39) ALDH1A1CTSKCYP3A4CA2LMNA
SCHEMBL4641250 0.85 ALDH1A1 (0.39) ALDH1A1CTSKCYP3A4CA2LMNA
SCHEMBL4640060 0.84 ALDH1A1 (0.42) ALDH1A1CTSKCYP3A4CA2HPGD
SCHEMBL4643286 0.81 ALDH1A1 (0.43) ALDH1A1CTSKCYP3A4CA2HPGD
SCHEMBL4642987 0.81 ALDH1A1 (0.43) ALDH1A1CTSKCYP3A4CA2
SCHEMBL4641177 0.81 ALDH1A1 (0.36) ALDH1A1CTSKCYP3A4CA2TSHR
SCHEMBL4641251 0.81 PTPN1 (0.44) ALDH1A1CTSKCYP3A4CA2LMNA

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 725/4885CTSK 3891/4885CYP3A4 424/4885

“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.