SCHEMBL3027396

SCHEMBL3027396

COCCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCCOC)C1(C)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 3/20 0.37
KDM4E B2RXH2 3/20 0.37
GLA P06280 1/20 0.37
ATM Q13315 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.35
GPBAR1 Q8TDU6 2/20 0.35
ACHE P22303 1/20 0.35
ALOX12 P18054 1/20 0.35
HPGD P15428 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
SCHEMBL3393583 0.68 TSHR (0.40) TSHRMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3027397 0.68 ALDH1A1 (0.42) TSHRMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5444348 0.66 LMNA (0.38) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL9220076 0.65 PYGL (0.32) TSHRMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL3032376 0.65 CYP2C9 (0.61) TSHRMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL29389335 0.63 TSHR (1.00) TSHRALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL186285 0.63 TSHR (1.00) TSHRALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL11777899 0.63 CYP2C9 (0.67) TSHRMAPTALDH1A1LMNAALOX15
SCHEMBL30516327 0.62 PYGL (0.34) GPBAR1
SCHEMBL23686118 0.62 KDM4E (0.64) TSHRMAPTALDH1A1SMN1; SMN2LMNA

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-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ARCHER PHARMACEUTICALS, INC. 2006-08-24 US 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 (7 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-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 TSHR 4437/4885MAPT 13/4885ALDH1A1 3749/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 TSHR 4253/4885MAPT 19/4885ALDH1A1 3939/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 TSHR 4253/4885MAPT 19/4885ALDH1A1 3939/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 TSHR 4253/4885MAPT 19/4885ALDH1A1 3939/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 TSHR 4253/4885MAPT 19/4885ALDH1A1 3939/4885
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 TSHR 4253/4885MAPT 19/4885ALDH1A1 3939/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 TSHR 4253/4885MAPT 19/4885ALDH1A1 3939/4885

“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.