SCHEMBL436634

SCHEMBL436634

CCOC(=O)CCOc1ccc(-n2c(-c3ccccc3)cc(-c3ccccc3)c2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.50
LTA4H P09960 5/20 0.45
TP53 P04637 1/20 0.44
PTGS2 P35354 2/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PDK2 Q15119 1/20 0.41

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
SCHEMBL438114 0.90 PLK1 (0.44) FAAHLTA4HTP53PTGS2
SCHEMBL437666 0.89 L3MBTL1 (0.49) LTA4HPTGS2PDK2
SCHEMBL38664 0.75 LTA4H (0.60) LTA4HPOLBSMN1; SMN2
SCHEMBL438258 0.73 ALDH1A1 (0.62) TP53POLBSMN1; SMN2
SCHEMBL10205950 0.72 PLK1 (0.54) PTGS2POLB
SCHEMBL7048969 0.72 FAAH (0.63) FAAHLTA4HTP53
SCHEMBL435644 0.71 RXRA (0.58) FAAHTP53SMN1; SMN2
SCHEMBL436572 0.71 FABP4 (0.55) TP53SMN1; SMN2
SCHEMBL14280209 0.71 HTT (0.55) SMN1; SMN2
SCHEMBL5922429 0.70 CHRNA7 (0.73) TP53POLBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-03-15 US disclosed
US-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-03-15 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 (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-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS NLN, SLC18A2, GOLT1B FAAH 2378/4885LTA4H 2911/4885TP53 3708/4885

“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.