SCHEMBL4640950

SCHEMBL4640950

CCc1cc(C(=O)OC(CC)C(C)(C)C)c(C(=O)O)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30

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
SCHEMBL4640946 0.95 L3MBTL1 (0.34) L3MBTL1MEN1KMT2A
SCHEMBL4640713 0.92 HSD17B10 (0.39) HSD17B10TSHRLCKFYNL3MBTL1
SCHEMBL4642995 0.90 MEN1 (0.35) HSD17B10TSHRMEN1KMT2AALDH1A1
SCHEMBL4640931 0.88 ALDH1A1 (0.38) HSD17B10TSHRMEN1KMT2AALDH1A1
SCHEMBL4641028 0.87 HSD17B10 (0.35) HSD17B10TSHRLCKFYNL3MBTL1
SCHEMBL4643049 0.87 HSD17B10 (0.35) HSD17B10TSHRLCKFYNL3MBTL1
SCHEMBL4640710 0.86 L3MBTL1 (0.36) HSD17B10TSHRL3MBTL1MEN1KMT2A
SCHEMBL4643639 0.86 HSD17B10 (0.35) HSD17B10TSHRLCKFYNL3MBTL1
SCHEMBL4640036 0.85 MEN1 (0.32) MEN1KMT2AALDH1A1GABRPGABRD
SCHEMBL4639978 0.85 MEN1 (0.32) MEN1KMT2AALDH1A1GABRPGABRD

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 HSD17B10 117/4885TSHR 4817/4885LCK 2375/4885

“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.