SCHEMBL3027397

SCHEMBL3027397

COCCN1C(C)=C(C(=O)OC)C(CCOC)(c2ccccc2Cl)C(C(=O)OC)=C1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
ATM Q13315 1/20 0.42
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.39
GPBAR1 Q8TDU6 3/20 0.38
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
P2RX7 Q99572 4/20 0.35
IL1B P01584 2/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 2/20 0.34
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
SCHEMBL5444348 0.90 LMNA (0.38) ALDH1A1KDM4EGLAGAAATM
SCHEMBL8672508 0.73 GPBAR1 (0.37) ALDH1A1KDM4EKMT2AGPBAR1LMNA
SCHEMBL3027396 0.68 TSHR (0.43) ALDH1A1KDM4EGLAGAAATM
SCHEMBL29136595 0.66 HTR1A (0.35) ALDH1A1KDM4EGLAGAAATM
SCHEMBL4755336 0.66 LMNA (0.42) ALDH1A1KDM4EGLAKMT2AMAPT
SCHEMBL10951083 0.65 MAOB (0.44) KDM4EATMKMT2AMAPTMEN1
SCHEMBL4755356 0.65 TSHR (0.37) ALDH1A1KDM4EKMT2AMAPTLMNA
SCHEMBL4757355 0.64 PYGM (0.39) ALDH1A1GAALMNA
SCHEMBL6951541 0.62 LMNA (0.36) ALDH1A1GAAKMT2ALMNASMN1; SMN2
SCHEMBL11125337 0.62 LMNA (0.34) ALDH1A1KDM4EKMT2AMAPTLMNA

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 ALDH1A1 3749/4885KDM4E 4629/4885GLA 404/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885KDM4E 4759/4885GLA 568/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885KDM4E 4759/4885GLA 568/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885KDM4E 4759/4885GLA 568/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885KDM4E 4759/4885GLA 568/4885
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885KDM4E 4759/4885GLA 568/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885KDM4E 4759/4885GLA 568/4885

“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.