SCHEMBL5966217

SCHEMBL5966217

O=C(O)C1C[CH]CC(C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABAT P80404 1/20 0.48
▸ CYP2C19 P33261 3/20 0.39
▸ GABRR1 P24046 1/20 0.39
▸ CYP2D6 P10635 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ ALOX15 P16050 3/20 0.37
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ PMP22 Q01453 2/20 0.36
▸ GABRP O00591 2/20 0.36
▸ GABRD O14764 2/20 0.36
▸ GABRA1 P14867 2/20 0.36
▸ GABRB1 P18505 2/20 0.36
▸ GABRG2 P18507 2/20 0.36
▸ GABRB3 P28472 2/20 0.36
▸ GABRA5 P31644 2/20 0.36
▸ GABRA3 P34903 2/20 0.36

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
SCHEMBL5966268 0.88 — —
SCHEMBL6309166 0.85 ABAT (0.42) ABATCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL12491864 0.82 ABAT (0.60) ABATCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL8204743 0.77 CYP2C19 (0.50) ABATCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL375124 0.77 CYP2C19 (0.50) ABATCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL23366184 0.77 CYP2C19 (0.50) ABATCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL2038877 0.77 CYP2C19 (0.50) ABATCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL6542917 0.77 CYP2C19 (0.50) ABATCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL19902117 0.77 CYP2C19 (0.50) ABATCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL5349667 0.77 CYP2C19 (0.50) ABATCYP2C19GABRR1CYP2D6CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060025345-A1 Substituted ethane-1,2-diamines for the treatment of Alzheimer's disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-02 — — US claimed
WO-2005113582-A1 SUBSTITUTED ETHANE-1,2-DIAMINES FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 — — WO claimed
CN-1532566-B Radiation sensitive composition for color filter JSR CORP 2010-05-12 — — CN disclosed
US-20060025345-A1 Substituted ethane-1,2-diamines for the treatment of Alzheimer's disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-02 — — US disclosed
WO-2005113582-A1 SUBSTITUTED ETHANE-1,2-DIAMINES FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 — — WO disclosed
CN-1532566-A Radiation sensitive composition for color filter JSR株式会社 2004-09-29 — — CN 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-20060025345-A1 Substituted ethane-1,2-diamines for the treatment of Alzheimer's disease PSEN1, PSEN2, APP ABAT 865/4885CYP2C19 1919/4885GABRR1 650/4885

“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.

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