SCHEMBL4640074

SCHEMBL4640074

CCC(OC(=O)c1cccc(Br)c1C(=O)O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
PRNP P04156 1/20 0.35
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 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
SCHEMBL4640072 0.92 TSHR (0.38) ALDH1A1TSHRHTTSCN1ASCN2A
SCHEMBL4643148 0.85 ALDH1A1 (0.39) ALDH1A1TSHRSCN1ASCN2ASCN3A
SCHEMBL4643075 0.85 ALDH1A1 (0.39) ALDH1A1TSHRHTTSCN1ASCN2A
SCHEMBL4639886 0.84 PBRM1 (0.40) ALDH1A1TSHRMAPTHPGDPOLB
SCHEMBL4640442 0.84 ALDH1A1 (0.39) ALDH1A1TSHRSCN1ASCN2ASCN3A
SCHEMBL4640007 0.84 PTPN1 (0.41) ALDH1A1HTTSCN1ASCN2ASCN3A
SCHEMBL4640026 0.83 MEN1 (0.36) ALDH1A1TSHRHTTPRNPHPGD
SCHEMBL4641174 0.82 ALDH1A1 (0.37) ALDH1A1TSHRSCN1ASCN2ASCN3A
SCHEMBL4641205 0.81 ALDH1A1 (0.39) ALDH1A1TSHRHTTPRNPSCN1A
SCHEMBL4640777 0.80 PRKCA (0.43) ALDH1A1TSHRHTTPRNPHPGD

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 4817/4885HTT 730/4885

“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.