SCHEMBL4640039

SCHEMBL4640039

CCCC(C)(C)OC(=O)c1cc(Cl)c(Cl)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TAAR1 Q96RJ0 1/20 0.38
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
CISD1 Q9NZ45 4/20 0.35
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SORT1 Q99523 4/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL4640037 0.94 NPC1 (0.35) MEN1KMT2ASMN1; SMN2
SCHEMBL4640845 0.92 MEN1 (0.36) MEN1KMT2ATAAR1POLBTSHR
SCHEMBL4640809 0.92 MEN1 (0.36) MEN1KMT2ATAAR1POLBTSHR
SCHEMBL4641133 0.92 MEN1 (0.36) MEN1KMT2ATAAR1POLBTSHR
SCHEMBL4643394 0.92 MEN1 (0.36) MEN1KMT2ATAAR1POLBTSHR
SCHEMBL4640890 0.90 HSD17B10 (0.35) MEN1KMT2ATAAR1TSHRCISD1
SCHEMBL4639983 0.90 MEN1 (0.44) MEN1KMT2ATAAR1POLBTSHR
SCHEMBL4640049 0.86 GABRP (0.34) MEN1KMT2ATSHRALDH1A1
SCHEMBL4644128 0.86 HSD17B10 (0.33) TSHRKDM4EALDH1A1SORT1NOTUM
SCHEMBL4640842 0.85 GRIN2D (0.33) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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 MEN1 3562/4885KMT2A 3313/4885TAAR1 4270/4885

“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.