SCHEMBL4640470

SCHEMBL4640470

CCc1ccc(C(=O)OC(CC)C(C)C)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
ALDH1A1 P00352 4/20 0.40
METAP2 P50579 2/20 0.39
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CFD P00746 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
KLKB1 P03952 1/20 0.35
CTSB P07858 1/20 0.35
MMP9 P14780 1/20 0.35
DNMT1 P26358 1/20 0.35
DNMT3B Q9UBC3 1/20 0.35

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
SCHEMBL4640665 0.87 ALDH1A1 (0.48) AKR1C3AKR1C2ALDH1A1METAP2MEN1
SCHEMBL4641137 0.86 CSNK2A1 (0.42) ALDH1A1RAB9AMEN1KMT2ACA12
SCHEMBL4640212 0.84 ALDH1A1 (0.39) AKR1C3AKR1C2ALDH1A1RAB9APTGS2
SCHEMBL4640655 0.84 KEAP1 (0.41) ALDH1A1METAP2RAB9ASMN1; SMN2HPGD
SCHEMBL4641141 0.84 ALDH1A1 (0.48) ALDH1A1RAB9ASMN1; SMN2MEN1HPGD
SCHEMBL4641151 0.84 KDM4E (0.41) AKR1C2ALDH1A1SMN1; SMN2HPGD
SCHEMBL236244 0.82 ALDH1A1 (0.57) ALDH1A1MEN1HPGDTSHRKMT2A
SCHEMBL4640832 0.82 METAP2 (0.39) AKR1C3AKR1C2ALDH1A1METAP2RAB9A
SCHEMBL4640103 0.81 METAP2 (0.40) AKR1C3AKR1C2ALDH1A1METAP2RAB9A
SCHEMBL4639995 0.81 ALDH1A1 (0.37) ALDH1A1RAB9ASMN1; SMN2HPGDTSHR

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 AKR1C3 1180/4885AKR1C2 1103/4885ALDH1A1 725/4885

“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.