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SCHEMBL3022545

SCHEMBL3022545

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC1 P33527 1/20 0.74
▸ KDM4E B2RXH2 6/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ TSHR P16473 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ GAA P10253 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ ADORA3 P0DMS8 2/20 0.58
▸ CACNA1F O60840 1/20 0.54
▸ CACNA1D Q01668 1/20 0.54
▸ CACNA1S Q13698 1/20 0.54
▸ CACNA1C Q13936 1/20 0.54
▸ MTOR P42345 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ POLB P06746 1/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51

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
SCHEMBL6137089 0.87 ABCC1 (0.57) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL3026966 0.86 ABCC1 (0.71) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL3030945 0.85 ABCC1 (1.00) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL8215604 0.84 ABCC1 (0.54) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL24625044 0.83 ABCC1 (0.55) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL7817206 0.82 KDM4E (0.88) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL9502243 0.82 ADORA3 (0.73) ABCC1KDM4EALDH1A1TSHRGAA
SCHEMBL7266484 0.82 CACNA1B (0.73) ABCC1ADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL3038503 0.81 ABCC1 (0.72) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL11819175 0.81 KDM4E (0.74) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2

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 16 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-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 — — US disclosed
US-20100215735-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-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-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 — — 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-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 — — 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-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-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 ABCC1 757/4885KDM4E 4629/4885ALDH1A1 3749/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ABCC1 401/4885KDM4E 4759/4885ALDH1A1 3939/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ABCC1 401/4885KDM4E 4759/4885ALDH1A1 3939/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ABCC1 401/4885KDM4E 4759/4885ALDH1A1 3939/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ABCC1 401/4885KDM4E 4759/4885ALDH1A1 3939/4885
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ABCC1 401/4885KDM4E 4759/4885ALDH1A1 3939/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ABCC1 401/4885KDM4E 4759/4885ALDH1A1 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.