SCHEMBL2444446

SCHEMBL2444446

O=C1CCC(C(F)(F)F)CC1C(=O)Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.34
TLR4 O00206 4/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTBP2 P56545 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL9664669 0.71 GAA (0.47) POLBSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL16935194 0.70 TLR4 (0.39) TLR4
SCHEMBL19917022 0.69 TSHR (0.43) ALDH1A1TLR4
SCHEMBL6469067 0.67 SMN1; SMN2 (0.50) POLBSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL31179844 0.67 TLR4 (0.36) ALDH1A1TLR4KDM4E
SCHEMBL30032752 0.67 MAPT (0.40) ALDH1A1TLR4GAAKDM4EMEN1
SCHEMBL27479664 0.66 POLB (0.42) POLBSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL3953274 0.65 NMT2 (0.46) POLBSMN1; SMN2ALDH1A1
SCHEMBL10014259 0.65 SMN1; SMN2 (0.50) POLBSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL18366096 0.65 MAPT (0.36) ALDH1A1TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 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-20100130495-A1 COMPOUNDS 563 BACE1, PSEN1, PSEN2 POLB 1195/4885SMN1; SMN2 318/4885ALDH1A1 4124/4885

“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.