SCHEMBL4640002

SCHEMBL4640002

CCc1cccc(C(=O)OC(CC)CCC(C)C)c1C(=O)OC(CC)CCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
ADRA1A P35348 1/20 0.37
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
PRKCA P17252 3/20 0.35
PRKCD Q05655 3/20 0.35
KCNA5 P22460 3/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCH P24723 1/20 0.34

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
SCHEMBL4640003 0.92 ALDH1A1 (0.40) KMT2ASCN1ASCN2ASCN3AADRA1A
SCHEMBL4640771 0.89 PRKCA (0.46) KMT2AADRA1ACA2CA12CA1
SCHEMBL4640978 0.88 ALDH1A1 (0.41) KMT2ASCN1ASCN2ASCN3ACA2
SCHEMBL4640221 0.86 SCN1A (0.37) KMT2ASCN1ASCN2ASCN3AADRA1A
SCHEMBL7194458 0.85 KMT2A (0.38) KMT2ASCN1ASCN2ASCN3AADRA1A
SCHEMBL4640704 0.85 SCN1A (0.36) KMT2ASCN1ASCN2ASCN3AADRA1A
SCHEMBL4641202 0.85 SCN1A (0.36) KMT2ASCN1ASCN2ASCN3AADRA1A
SCHEMBL4640224 0.82 ALDH1A1 (0.40) KMT2ASCN1ASCN2ASCN3AADRA1A
SCHEMBL4640981 0.81 ALDH1A1 (0.45) KMT2ASCN1ASCN2ASCN3ACA2
SCHEMBL4640755 0.81 PRKCA (0.44) KMT2ACA2UTS2RALDH1A1PRKCA

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 KMT2A 3313/4885SCN1A 4017/4885SCN2A 4234/4885

“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.