SCHEMBL4640703

SCHEMBL4640703

CCCCC(OC(=O)c1cc(CC)c(Cl)cc1C(=O)O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSK P43235 5/20 0.34
CISD1 Q9NZ45 7/20 0.33
TAAR1 Q96RJ0 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32

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
SCHEMBL4640698 0.95 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ACTSKTSHR
SCHEMBL4641181 0.93 MEN1 (0.42) ALDH1A1MEN1KMT2ACTSKCISD1
SCHEMBL4640235 0.91 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACTSKTSHR
SCHEMBL4640615 0.88 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACTSKCISD1
SCHEMBL4640675 0.88 ATM (0.33) ALDH1A1MEN1KMT2ACISD1TAAR1
SCHEMBL4641198 0.88 ATM (0.33) ALDH1A1MEN1KMT2ACISD1TAAR1
SCHEMBL4641177 0.87 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ACTSKTSHR
SCHEMBL7195554 0.87 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ACTSKCISD1
SCHEMBL4639859 0.87 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACTSKTSHR
SCHEMBL4640434 0.87 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACTSKTSHR

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 ALDH1A1 725/4885MEN1 3562/4885KMT2A 3313/4885

“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.