SCHEMBL4640668

SCHEMBL4640668

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CISD1 Q9NZ45 7/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
CTSK P43235 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
UTS2R Q9UKP6 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
AKR1C2 P52895 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
SCHEMBL4640971 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACISD1CTSL
SCHEMBL4640968 0.95 ALDH1A1 (0.36) ALDH1A1CTSLCTSBCTSHCTSK
SCHEMBL4640633 0.92 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ACISD1CTSL
SCHEMBL4639941 0.91 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ACTSLCTSB
SCHEMBL4643047 0.88 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACISD1CTSL
SCHEMBL4639933 0.87 LMNA (0.34) ALDH1A1MEN1KMT2AHPGDRAB9A
SCHEMBL4640631 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ACTSLCTSB
SCHEMBL4641178 0.87 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACISD1CTSL
SCHEMBL4639912 0.86 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACTSLCTSB
SCHEMBL4640119 0.86 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACTSLCTSB

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.