SCHEMBL4640072

SCHEMBL4640072

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
HTT P42858 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MAPT P10636 1/20 0.36
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F2R P25116 3/20 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
SCHEMBL4640074 0.92 ALDH1A1 (0.39) TSHRHTTCA12CA1CA2
SCHEMBL7595512 0.85 TSHR (0.45) TSHRHTTCA12CA1CA2
SCHEMBL4643070 0.84 CA12 (0.39) TSHRCA12CA1CA2CA7
SCHEMBL4643146 0.84 CA2 (0.39) TSHRHTTCA12CA1CA2
SCHEMBL4639884 0.83 TAS1R3 (0.40) TSHRCA12CA1CA2CA7
SCHEMBL4640441 0.83 CA2 (0.38) TSHRCA12CA1CA2CA7
SCHEMBL4640005 0.83 KMT2A (0.40) HTTCA12CA1CA2CA7
SCHEMBL4640022 0.82 KMT2A (0.35) TSHRHTTCA12CA1CA2
SCHEMBL7593464 0.82 CA12 (0.58) TSHRHTTCA12CA1CA2
SCHEMBL236243 0.81 ALDH1A1 (0.50) TSHRCA2NPC1ALDH1A1MEN1

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 TSHR 4817/4885HTT 730/4885CA12 2609/4885

“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.