SCHEMBL4642938

SCHEMBL4642938

CCCCCC(C)(C)OC(=O)c1cc(Br)c(Br)cc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRA P10827 4/20 0.36
THRB P10828 4/20 0.36
PTPN11 Q06124 2/20 0.35
S1PR3 Q99500 1/20 0.35
ESR1 P03372 1/20 0.35
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
KAT8 Q9H7Z6 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL4639924 0.91 MEN1 (0.38) TSHRHSD17B10THRATHRBALDH1A1
SCHEMBL4643912 0.90 HSD17B10 (0.40) TSHRHSD17B10THRATHRBESR1
SCHEMBL4639983 0.86 MEN1 (0.44) TSHRESR1PPARAPPARGALDH1A1
SCHEMBL4640163 0.85 POLB (0.45) TSHRTHRBPTPN11S1PR3PPARA
SCHEMBL4639919 0.85 THRB (0.35) THRATHRBESR1ALDH1A1
SCHEMBL4643908 0.84 ESR1 (0.34) TSHRHSD17B10THRATHRBESR1
SCHEMBL4639957 0.82 HSD17B10 (0.36) TSHRHSD17B10THRATHRB
SCHEMBL4643084 0.82 HSD17B10 (0.36) TSHRHSD17B10
SCHEMBL4639980 0.82 HSD17B10 (0.36) TSHRHSD17B10THRATHRB
SCHEMBL4641162 0.82 HSD17B10 (0.36) TSHRHSD17B10

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 4817/4885HSD17B10 117/4885THRA 4644/4885

“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.