SCHEMBL5587085

SCHEMBL5587085

CC(C)(C)C1=C(Cl)C(Cl)=C(C(C)(C)C)C(=O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
CES1 P23141 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8931018 0.90 CES2 (0.39) CES2BCHEACHECES1ALDH1A1
SCHEMBL12954661 0.77
SCHEMBL8849510 0.74 ALDH1A1 (0.42) CES2CES1ALDH1A1MAPTHPGD
SCHEMBL5590180 0.71 ALDH1A1 (0.35) ALDH1A1MAPTMCL1ATM
SCHEMBL5588587 0.71 ALDH1A1 (0.35) ALDH1A1MAPTMCL1ATM
SCHEMBL5588130 0.70 ATM (0.46) CES2CES1ALDH1A1MAPTHPGD
SCHEMBL5588847 0.67 MAPT (0.39) ALDH1A1MAPTKDM4EMEN1TP53
SCHEMBL19051423 0.66 BLM (0.35) BLMWRNCA12CA1CA9
SCHEMBL9321186 0.65 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EMEN1ALOX15
SCHEMBL21342599 0.63 ALDH1A1 (0.33) ALDH1A1MAPTMCL1ATM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805398-A Preparation method of ecteinascidin compound 江苏恒瑞医药股份有限公司 2022-07-29 CN claimed
CN-114805398-A Preparation method of ecteinascidin compound 江苏恒瑞医药股份有限公司 2022-07-29 CN disclosed
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US disclosed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 CES2 4281/4885BCHE 4508/4885ACHE 3995/4885

“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.