SCHEMBL1649491

SCHEMBL1649491

CCCCCCCCCC(=O)OCCOC(=O)CCCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 1/20 1.00
▸ DNM1 Q05193 1/20 0.71
▸ PAM P19021 2/20 0.67
▸ TSHR P16473 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ NAAA Q02083 1/20 0.61
▸ PRSS1 P07477 1/20 0.61
▸ PRSS2 P07478 1/20 0.61
▸ PRSS3 P35030 1/20 0.61
▸ LMNA P02545 4/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.58
▸ DUSP3 P51452 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ HTR2C P28335 1/20 0.58
▸ PRKCA P17252 1/20 0.55
▸ PRKCE Q02156 1/20 0.55
▸ PRKCQ Q04759 1/20 0.55
▸ PRKCD Q05655 1/20 0.55

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
SCHEMBL17812631 1.00 DGKA (1.00) DGKADNM1PAMTSHRMAPT
SCHEMBL8161925 1.00 DGKA (1.00) DGKADNM1PAMTSHRMAPT
SCHEMBL369211 1.00 DGKA (1.00) DGKADNM1PAMTSHRMAPT
SCHEMBL8160365 1.00 DGKA (1.00) DGKADNM1PAMTSHRMAPT
SCHEMBL3504178 1.00 DGKA (1.00) DGKADNM1PAMTSHRMAPT
SCHEMBL1133768 1.00 DGKA (1.00) DGKADNM1PAMTSHRMAPT
SCHEMBL461558 1.00 DGKA (1.00) DGKADNM1PAMTSHRMAPT
SCHEMBL6027216 1.00 DGKA (1.00) DGKADNM1PAMTSHRMAPT
SCHEMBL15879435 1.00 DGKA (1.00) DGKADNM1PAMTSHRMAPT
SCHEMBL3677993 1.00 DGKA (1.00) DGKADNM1PAMTSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088241-A1 Bioreactive Agents THE TRUSTEES OF BOSTON UNIVERSITY 2012-04-12 — — US disclosed
US-20110129878-A1 BIOREACTIVE AGENTS THE TRUSTEES OF BOSTON UNIVERSITY 2011-06-02 — — US disclosed
US-20100196988-A1 Bioreactive Agents THE TRUSTEES OF BOSTON UNIVERSITY 2010-08-05 — — US disclosed
US-20090176279-A1 Bioreactive agents THE TRUSTEES OF BOSTON UNIVERSITY 2009-07-09 — — 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 (3 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-20110129878-A1 BIOREACTIVE AGENTS NEFM, TNF, GGT1 DGKA 1361/4885DNM1 4408/4885PAM 1986/4885
US-20100196988-A1 Bioreactive Agents NEFM, TNF, GGT1 DGKA 1362/4885DNM1 4419/4885PAM 1984/4885
US-20090176279-A1 Bioreactive agents NEFM, TNF, GGT1 DGKA 1361/4885DNM1 4408/4885PAM 1986/4885

“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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