SCHEMBL7164129

SCHEMBL7164129

CCOC(=O)CCCn1c(=O)c2ccccc2n(C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNF P01375 13/20 1.00
CTNNB1 P35222 1/20 0.55
HDAC1 Q13547 1/20 0.54
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.49
CNR1 P21554 1/20 0.48

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
SCHEMBL7650022 0.85 TNF (0.73) TNFCTNNB1ALDH1A1
SCHEMBL7654430 0.82 TNF (0.70) TNFCTNNB1HDAC1ALDH1A1KDM4E
SCHEMBL7649768 0.82 TNF (0.70) TNFCTNNB1HDAC1ALDH1A1KDM4E
SCHEMBL7650027 0.81 TNF (0.68) TNFCTNNB1ALDH1A1KDM4E
SCHEMBL7656518 0.80 TNF (0.67) TNFCTNNB1ALDH1A1KDM4E
SCHEMBL14560541 0.80 PGR (0.67) TNFHDAC1ALDH1A1KDM4E
SCHEMBL12938925 0.79 TNF (0.64) TNFCTNNB1HDAC1ALDH1A1KDM4E
SCHEMBL1004476 0.78 TNF (0.63) TNFCTNNB1HDAC1ALDH1A1KDM4E
SCHEMBL1004093 0.78 TNF (0.63) TNFCTNNB1HDAC1ALDH1A1KDM4E
SCHEMBL5036947 0.77 TNF (0.62) TNFHDAC1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562819-B2 Antiinflammatory agents; antiproliferative agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-13 US disclosed
US-20020165202-A1 Compounds for inhibition of ceramide-mediated signal transduction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-11-07 US disclosed
EP-1193257-A2 Compounds for ceramide-mediated signal transduction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-04-03 EP disclosed
US-6323201-B1 ANTIINFLAMMATORY AGENTS, ANTIPROLIFERATION AGENTS AND ENZYME INHIBITORS OF PHOSPHODIESTERASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-11-27 US disclosed
US-5843943-A Compounds for inhibition of ceramide-mediated signal transduction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-01 US disclosed
WO-1996020710-A1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-07-11 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-20020165202-A1 Compounds for inhibition of ceramide-mediated signal transduction SMPD1, CERT1, SMPD3 TNF 13/4885CTNNB1 2436/4885HDAC1 2463/4885

“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.