SCHEMBL4628564

SCHEMBL4628564

CC(C)CCCOC(=O)c1cc(Cl)c(Cl)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 3/20 0.48
ESR1 P03372 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HTR4 Q13639 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
HTR3A P46098 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
RARB P10826 1/20 0.37
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 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
SCHEMBL233889 0.94 ESR1 (0.43) KMT2AMEN1ESR1ALDH1A1HTR4
SCHEMBL4627196 0.88 ESR1 (0.52) KMT2AMEN1ESR1ALDH1A1CYP3A4
SCHEMBL4625675 0.88 CYP4F2 (0.43) KMT2AMEN1ESR1ALDH1A1CYP3A4
SCHEMBL233745 0.88 ALDH1A1 (0.44) KMT2AMEN1ESR1ALDH1A1HTR4
SCHEMBL4628595 0.85 ESR1 (0.39) KMT2AMEN1ESR1ALDH1A1HTR4
SCHEMBL828641 0.85 RARB (0.44) KMT2AALDH1A1CYP3A4KDM4EGAA
SCHEMBL828793 0.85 RARB (0.44) KMT2AALDH1A1CYP3A4KDM4EGAA
SCHEMBL14989201 0.85 RARB (0.44) KMT2AALDH1A1CYP3A4KDM4EGAA
SCHEMBL4823377 0.85 RARB (0.44) KMT2AALDH1A1CYP3A4KDM4EGAA
SCHEMBL828785 0.85 RARB (0.44) KMT2AALDH1A1CYP3A4KDM4EGAA

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 8 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
EP-1209172-B1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO LTD (JP) 2008-07-02 EP disclosed
US-6770586-B2 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD. (JP) 2004-08-03 US 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-20030130109-A1 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD (JP) 2003-07-10 US disclosed
US-20030036594-A1 Phthalic diester derivatives and electron donors TOHO TITANIUM CO., LTD. (JP) 2003-02-20 US disclosed
EP-1209172-A1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION Toho Titanium Co., Ltd. (JP) 2002-05-29 EP 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 KMT2A 3313/4885MEN1 3562/4885ESR1 168/4885

“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.