SCHEMBL4625846

SCHEMBL4625846

CCc1cc(C(=O)OCC(C)C)c(C(=O)OCC(C)C)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TSHR P16473 3/20 0.53
KDM4E B2RXH2 2/20 0.42
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
ATM Q13315 1/20 0.38
GPR35 Q9HC97 1/20 0.37
MAPK1 P28482 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL4626447 0.95 ALDH1A1 (0.49) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL4627130 0.90 ESR1 (0.48) ALDH1A1TSHRTDP1TP53ATM
SCHEMBL4628659 0.88 TSHR (0.61) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL4628560 0.88 TSHR (0.61) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL4628580 0.85 ALDH1A1 (0.54) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL4627285 0.83 ALDH1A1 (0.56) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL4626925 0.83 TSHR (0.50) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL4627192 0.82 TSHR (0.54) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL4625722 0.82 ALDH1A1 (0.54) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL4627941 0.82 ESR1 (0.41) ALDH1A1TSHRKDM4EMAPTTDP1

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 4817/4885KDM4E 4127/4885

“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.