SCHEMBL4640133

SCHEMBL4640133

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.40
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CTSK P43235 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
MT-CO2 P00403 1/20 0.36
TTR P02766 1/20 0.36
PLA2G1B P04054 1/20 0.36
CYP1A2 P05177 1/20 0.36
PGR P06401 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
SCHEMBL4640131 0.92 ADRB2 (0.38) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4640571 0.91 PLK1 (0.41) PBRM1TSHRALDH1A1LMNAHPGD
SCHEMBL4642764 0.86 HPGD (0.39) TSHRALDH1A1LMNAHPGDPOLB
SCHEMBL4643832 0.85 CLCN2 (0.38) ALDH1A1
SCHEMBL4640471 0.84 PRNP (0.35) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL4639853 0.84 ALDH1A1 (0.33) TSHRALDH1A1MEN1CYP3A4KMT2A
SCHEMBL7194622 0.84 PTPN1 (0.43) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4640569 0.83 TSHR (0.39) TSHRALDH1A1ADRB2ADRB1ADRB3
Ethane SCHEMBL4640134 0.81 PBRM1 (0.44) PBRM1TSHRALDH1A1LMNAHPGD
SCHEMBL4642762 0.80 TSHR (0.39) TSHRALDH1A1ADRB2ADRB1ADRB3

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 PBRM1 1880/4885TSHR 4817/4885ALDH1A1 725/4885

“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.