SCHEMBL4643148

SCHEMBL4643148

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
CLCN2 P51788 1/20 0.38
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCD Q05655 1/20 0.35
POLB P06746 1/20 0.35
PPARA Q07869 3/20 0.35
UTS2R Q9UKP6 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 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
SCHEMBL4643146 0.92 CA2 (0.39) ALDH1A1KMT2ACLCN2SCN1ASCN2A
SCHEMBL4643075 0.86 ALDH1A1 (0.39) ALDH1A1KMT2ASCN1ASCN2ASCN3A
SCHEMBL4640074 0.85 ALDH1A1 (0.39) ALDH1A1KMT2ASCN1ASCN2ASCN3A
SCHEMBL4640442 0.85 ALDH1A1 (0.39) ALDH1A1KMT2ASCN1ASCN2ASCN3A
SCHEMBL4640007 0.85 PTPN1 (0.41) ALDH1A1KMT2ASCN1ASCN2ASCN3A
SCHEMBL4639886 0.85 PBRM1 (0.40) ALDH1A1KMT2APOLBUTS2RNPC1
SCHEMBL4641174 0.83 ALDH1A1 (0.37) ALDH1A1KMT2ASCN1ASCN2ASCN3A
SCHEMBL4640138 0.82 KMT2A (0.37) ALDH1A1KMT2ACLCN2POLBPPARA
SCHEMBL6346369 0.82 CLCN2 (0.38) ALDH1A1KMT2ACLCN2SCN1ASCN2A
SCHEMBL236244 0.81 ALDH1A1 (0.57) ALDH1A1KMT2ASCN1ASCN2ASCN3A

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 725/4885KMT2A 3313/4885CLCN2 4314/4885

“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.