SCHEMBL5588587

SCHEMBL5588587

CC(C)(C)C1=C(F)C(F)=C(C(C)(C)C)C(=O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MCL1 Q07820 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL8849510 0.72 ALDH1A1 (0.42) ALDH1A1MAPTMCL1ATM
SCHEMBL5587085 0.71 CES2 (0.41) ALDH1A1MAPTMCL1ATM
SCHEMBL5590180 0.69 ALDH1A1 (0.35) ALDH1A1MAPTMCL1ATM
SCHEMBL5589698 0.68 ATM (0.46) ALDH1A1MAPTMCL1ATM
SCHEMBL5588847 0.65 MAPT (0.39) ALDH1A1MAPTMCL1ATM
Methane SCHEMBL28516443 0.63
Methane SCHEMBL28392517 0.63
SCHEMBL8931018 0.62 CES2 (0.39) ALDH1A1MAPTMCL1ATM
SCHEMBL9321186 0.62 ALDH1A1 (0.39) ALDH1A1MAPTMCL1ATM
SCHEMBL8930801 0.62 MAPT (0.47) 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 ALDH1A1 2181/4885MAPT 585/4885MCL1 1660/4885

“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.