SCHEMBL4640022

SCHEMBL4640022

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 3/20 0.35
TSHR P16473 2/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
F2R P25116 2/20 0.32
KCNH2 Q12809 1/20 0.32
HPGD P15428 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL4640026 0.92 MEN1 (0.36) KMT2AMEN1HTTTSHRNPC1
SCHEMBL4639996 0.87 ALDH1A1 (0.39) TSHRCA2ALDH1A1F2RL3MBTL1
SCHEMBL4640512 0.83 KMT2A (0.40) KMT2AMEN1TSHRCA12CA1
SCHEMBL15675540 0.82 TSHR (0.48) KMT2AMEN1TSHRCA2ALDH1A1
SCHEMBL4640072 0.82 TSHR (0.38) KMT2AMEN1HTTTSHRCA12
SCHEMBL7595512 0.81 TSHR (0.45) HTTTSHRCA12CA1CA2
SCHEMBL4639999 0.80 ALDH1A1 (0.43) KMT2AMEN1TSHRCA2ALDH1A1
SCHEMBL4640138 0.80 KMT2A (0.37) KMT2AMEN1ALDH1A1KCNH2
SCHEMBL4640710 0.79 L3MBTL1 (0.36) KMT2AMEN1TSHRKCNH2L3MBTL1
SCHEMBL4640220 0.78 PBRM1 (0.39) KMT2AMEN1TSHRNPC1RAB9A

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 KMT2A 3313/4885MEN1 3562/4885HTT 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.