SCHEMBL4625650

SCHEMBL4625650

Cc1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TSHR P16473 5/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RARB P10826 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 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
SCHEMBL4627391 1.00 ALDH1A1 (0.48) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL4626478 0.94 TSHR (0.45) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL4640538 0.90 TSHR (0.46) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL4642867 0.89 TSHR (0.55) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL9799237 0.86 TSHR (0.49) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL20695613 0.86 TSHR (0.49) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL829111 0.86 TSHR (0.49) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL20695600 0.86 TSHR (0.49) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL20695632 0.86 TSHR (0.49) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL20695621 0.86 TSHR (0.49) ALDH1A1TSHRLMNAMAPK1TP53

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 8 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
EP-1209172-B1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO LTD (JP) 2008-07-02 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-20030130109-A1 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD (JP) 2003-07-10 US disclosed
US-20030036594-A1 Phthalic diester derivatives and electron donors TOHO TITANIUM CO., LTD. (JP) 2003-02-20 US disclosed
EP-1209172-A1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION Toho Titanium Co., Ltd. (JP) 2002-05-29 EP 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 725/4885TSHR 4817/4885LMNA 4878/4885

“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.