SCHEMBL4643049

SCHEMBL4643049

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.35
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MCL1 Q07820 1/20 0.31
RXRB P28702 1/20 0.31
LMNA P02545 1/20 0.30
GRM1 Q13255 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
SCHEMBL4641028 1.00 HSD17B10 (0.35) HSD17B10TSHRL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4641025 0.95 L3MBTL1 (0.36) TSHRL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4640713 0.92 HSD17B10 (0.39) HSD17B10TSHRL3MBTL1ALDH1A1LCK
SCHEMBL4640001 0.92 SMN1; SMN2 (0.36) HSD17B10TSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL4644185 0.88 ALDH1A1 (0.38) HSD17B10TSHRL3MBTL1ALDH1A1MEN1
SCHEMBL4641359 0.88 ALDH1A1 (0.38) HSD17B10TSHRL3MBTL1ALDH1A1MEN1
SCHEMBL4640950 0.87 HSD17B10 (0.35) HSD17B10TSHRL3MBTL1ALDH1A1LCK
SCHEMBL4640710 0.86 L3MBTL1 (0.36) HSD17B10TSHRL3MBTL1MEN1KMT2A
SCHEMBL4639998 0.86 GRM1 (0.36) TSHRL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4643639 0.86 HSD17B10 (0.35) HSD17B10TSHRL3MBTL1LCKFYN

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 4817/4885L3MBTL1 4720/4885

“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.