SCHEMBL889258

SCHEMBL889258

CCCCNCCC(=O)OCCC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.52
LTA4H P09960 2/20 0.46
ACHE P22303 8/20 0.46
DNM1 Q05193 1/20 0.43
CA12 O43570 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
NAAA Q02083 1/20 0.42
TOP2A P11388 1/20 0.42
HTR2C P28335 1/20 0.42
LMNA P02545 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL889250 0.94 DGKA (0.48) DGKALTA4HACHEDNM1ALDH1A1
SCHEMBL10351184 0.92 DGKA (0.52) DGKALTA4HACHEDNM1CA12
SCHEMBL23326932 0.89 NAAA (0.58) DGKAACHEDNM1NAAAHTR2C
SCHEMBL889329 0.89 NAAA (0.58) DGKAACHEDNM1NAAAHTR2C
SCHEMBL13659026 0.88 DGKA (0.55) DGKALTA4HACHEDNM1ALDH1A1
SCHEMBL889155 0.88 ALDH1A1 (0.45) DGKALTA4HDNM1ALDH1A1GLA
SCHEMBL16079775 0.87 DGKA (0.55) DGKALTA4HACHEDNM1CA12
SCHEMBL11231987 0.87 DGKA (0.46) DGKALTA4HDNM1CA12CA14
SCHEMBL5011369 0.86 LTA4H (0.50) DGKALTA4HACHECA12CA14
SCHEMBL11386401 0.85 DGKA (0.44) DGKALTA4HDNM1CA12CA14

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-20210079366-A1 CAS12A SYSTEMS, METHODS, AND COMPOSITIONS FOR TARGETED RNA BASE EDITING THE BROAD INSTITUTE, INC. (US) 2021-03-18 US disclosed
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 (2 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-20210079366-A1 CAS12A SYSTEMS, METHODS, AND COMPOSITIONS FOR TARGETED RNA BASE EDITING RBM12, CPSF6, CPSF1 DGKA 3175/4885LTA4H 4653/4885ACHE 4799/4885
US-20120009222-A1 MODULATION OF THE IMMUNE RESPONSE FCGRT, MYD88, C3AR1 DGKA 1291/4885LTA4H 253/4885ACHE 1101/4885

“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.