SCHEMBL4641383

SCHEMBL4641383

CCCCOC(=O)c1ccc(Cl)cc1C(=O)OCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.54
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
ALDH1A1 P00352 8/20 0.51
KMT2A Q03164 1/20 0.51
MAPK1 P28482 3/20 0.49
CYP3A4 P08684 3/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ESR1 P03372 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CNR1 P21554 1/20 0.43
CA2 P00918 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL232477 0.90 TSHR (0.65) TSHRTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL6912200 0.90 TSHR (0.54) TSHRTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL235864 0.89 ALDH1A1 (0.64) TSHRTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL4628270 0.86 ESR1 (0.52) TSHRTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL4626740 0.86 TSHR (0.59) TSHRTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL4625784 0.86 TSHR (0.57) TSHRTDP1ALDH1A1KMT2AMAPK1
SCHEMBL4628171 0.85 TSHR (0.55) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL4626667 0.85 TSHR (0.55) TSHRTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL4628079 0.85 TSHR (0.67) TSHRTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL21113682 0.85 TSHR (0.67) TSHRTDP1L3MBTL1ALDH1A1KMT2A

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 5 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-6770586-B2 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD. (JP) 2004-08-03 US 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 TSHR 4817/4885TDP1 2416/4885L3MBTL1 4720/4885

“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.