SCHEMBL5077751

SCHEMBL5077751

CCCCOC(=O)N(C)CC(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.41
NAAA Q02083 1/20 0.40
TSHR P16473 4/20 0.39
HPGD P15428 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CYP1A2 P05177 3/20 0.38
LMNA P02545 2/20 0.38
CYP2C19 P33261 2/20 0.38
ESR1 P03372 2/20 0.38
DNM1 Q05193 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 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
SCHEMBL2291415 0.81 ALDH1A1 (0.47) ALDH1A1ATMNAAATSHRHPGD
SCHEMBL8386600 0.80 ALDH1A1 (0.45) ALDH1A1ATMNAAATSHRHPGD
SCHEMBL8386595 0.80 ALDH1A1 (0.45) ALDH1A1ATMNAAATSHRHPGD
SCHEMBL16119487 0.79 ALDH1A1 (0.52) ALDH1A1ATMNAAATSHRHPGD
SCHEMBL2358987 0.78 CA12 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL2318467 0.78 CA12 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL8327983 0.78 ACHE (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL25565603 0.77 ALDH1A1 (0.50) CA12CA1CA9ALDH1A1ATM
SCHEMBL14138540 0.77 ALDH1A1 (0.50) ALDH1A1ATMNAAATSHRHPGD
SCHEMBL9396263 0.77 ALDH1A1 (0.50) ALDH1A1ATMNAAATSHRHPGD

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
US-8288606-B2 Magnesium, titanium, and halogen; internal electron donor, ethyl N-Boc-sarcosine, ethyl N-propionyl sarcosine, ethyl N-Boc-pipercolinate, N-carbobenzyloxy-L-proline methyl ester; polymerize propylene and ethylene or alpha-olefin; internal modifier which does not contain a phthalate derivative INEOS USA LLC (US) 2012-10-16 US claimed
EP-1866347-B1 PROPYLENE POLYMER CATALYST DONOR COMPONENT INEOS TECH USA LLC (US) 2018-05-09 EP disclosed
EP-1866347-B1 PROPYLENE POLYMER CATALYST DONOR COMPONENT INEOS TECH USA LLC (US) 2018-05-09 EP disclosed
US-8288606-B2 Magnesium, titanium, and halogen; internal electron donor, ethyl N-Boc-sarcosine, ethyl N-propionyl sarcosine, ethyl N-Boc-pipercolinate, N-carbobenzyloxy-L-proline methyl ester; polymerize propylene and ethylene or alpha-olefin; internal modifier which does not contain a phthalate derivative INEOS USA LLC (US) 2012-10-16 US disclosed
US-20080125614-A1 Propylene polymer catalyst donor component INNOVENE USA (US) 2008-05-29 US disclosed
EP-1866347-A2 PROPYLENE POLYMER CATALYST DONOR COMPONENT INEOS USA LLC (US) 2007-12-19 EP disclosed
WO-2006110234-A2 PROPYLENE POLYMER CATALYST DONOR COMPONENT INEOS USA LLC (US) 2006-10-19 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-20080125614-A1 Propylene polymer catalyst donor component RAD52, PGR, DRD2 CA12 4077/4885CA1 4220/4885CA2 4423/4885

“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.