SCHEMBL4640641

SCHEMBL4640641

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
STING1 Q86WV6 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 3/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CISD1 Q9NZ45 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL4640639 0.95 L3MBTL1 (0.36) L3MBTL1MEN1KMT2ASTING1ALDH1A1
SCHEMBL4640681 0.90 HSD17B10 (0.40) HSD17B10TSHRL3MBTL1MEN1KMT2A
SCHEMBL4641272 0.90 MEN1 (0.38) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL4641178 0.88 ALDH1A1 (0.40) HSD17B10TSHRMEN1KMT2AALDH1A1
SCHEMBL4641120 0.85 HSD17B10 (0.36) HSD17B10TSHRL3MBTL1MEN1KMT2A
SCHEMBL4639905 0.85 L3MBTL1 (0.37) HSD17B10TSHRL3MBTL1MEN1KMT2A
SCHEMBL4639933 0.85 LMNA (0.34) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL4640066 0.85 HSD17B10 (0.36) HSD17B10TSHRL3MBTL1MEN1KMT2A
SCHEMBL4640089 0.85 L3MBTL1 (0.37) HSD17B10TSHRL3MBTL1MEN1KMT2A
SCHEMBL7194558 0.84 L3MBTL1 (0.40) HSD17B10TSHRL3MBTL1ALDH1A1KDM4E

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.