SCHEMBL4641141

SCHEMBL4641141

CCC(OC(=O)c1ccc(Cl)cc1C(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 5/20 0.48
RAB9A P51151 1/20 0.48
PKM P14618 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
MYC P01106 2/20 0.38
NR4A1 P22736 1/20 0.38

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
SCHEMBL4641142 0.93 HPGD (0.45) ALDH1A1KDM4ERAB9APKMRXFP1
SCHEMBL4640470 0.84 AKR1C3 (0.41) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4641137 0.84 CSNK2A1 (0.42) ALDH1A1KDM4ERAB9APKMMEN1
SCHEMBL4641272 0.84 MEN1 (0.38) ALDH1A1KDM4ERAB9APKMRXFP1
SCHEMBL4640212 0.83 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9APKMRXFP1
SCHEMBL4640655 0.83 KEAP1 (0.41) ALDH1A1KDM4ERAB9ASMN1; SMN2KMT2A
SCHEMBL4641151 0.83 KDM4E (0.41) ALDH1A1KDM4ESMN1; SMN2HPGDMYC
SCHEMBL23035398 0.82 ALDH1A1 (0.50) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL236244 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL4641296 0.80 ALDH1A1 (0.45) ALDH1A1KDM4ERAB9APKMRXFP1

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 725/4885KDM4E 4127/4885RAB9A 4158/4885

“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.