SCHEMBL889268

SCHEMBL889268

CCCOC(=O)CCNCCc1c[nH]cn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
TOP2A P11388 2/20 0.40
LTA4H P09960 5/20 0.38
LMNA P02545 1/20 0.34
DGKA P23743 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL889325 0.90 DGKA (0.42) ALDH1A1LTA4HLMNADGKA
SCHEMBL7420112 0.90 LTA4H (0.42) ALDH1A1TOP2ALTA4H
SCHEMBL13755924 0.85 LTA4H (0.39) ALDH1A1LTA4HLMNASMN1; SMN2
SCHEMBL19051593 0.83 SMN1; SMN2 (0.43) ALDH1A1TOP2ALMNASMN1; SMN2
SCHEMBL889272 0.80 THRA (0.34) ALDH1A1GLATOP2ALTA4HLMNA
SCHEMBL16638656 0.78 S1PR1 (0.37) LTA4H
SCHEMBL3007160 0.78 ALDH1A1 (0.37) ALDH1A1GLALMNAMAPK1
SCHEMBL10820628 0.77 FAAH (0.44) ALDH1A1LMNA
SCHEMBL2897271 0.77 HRH4 (0.39) ALDH1A1
SCHEMBL16638619 0.76 CAPN1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009222-A1 MODULATION OF THE IMMUNE RESPONSE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-01-12 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-20120009222-A1 MODULATION OF THE IMMUNE RESPONSE FCGRT, MYD88, C3AR1 ALDH1A1 2506/4885GLA 4487/4885TOP2A 738/4885

“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.