SCHEMBL13635957

SCHEMBL13635957

CC(C)(C)CC1CCC(NC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL20687541 1.00 THRA (0.38) THRATHRB
SCHEMBL25743383 0.83 KMT2A (0.36)
SCHEMBL10074434 0.83 KMT2A (0.36)
SCHEMBL10198836 0.82
SCHEMBL20687474 0.82
SCHEMBL4153538 0.82
SCHEMBL23488926 0.79 NCF1 (0.38)
SCHEMBL21214055 0.79 ESR1 (0.31)
SCHEMBL23488979 0.79 NCF1 (0.38)
SCHEMBL7155825 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493412-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-15 US disclosed
US-20140228321-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-14 US disclosed
US-8562953-B2 Dendritic polymers and magnetic resonance imaging contrast agent employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-10-22 US disclosed
US-20130030139-A1 DENDRITIC POLYMERS AND MAGNETIC RESONANCE IMAGING CONTRAST AGENT EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-01-31 US disclosed
US-8303937-B2 Dendritic polymers and magnetic resonance imaging contrast agent employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-11-06 US disclosed
US-20090169480-A1 DENDRITIC POLYMERS AND MAGNETIC RESONANCE IMAGING CONTRAST AGENT EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-07-02 US disclosed
US-20090169481-A1 DENDRITIC POLYMERS AND MAGNETIC RESONANCE IMAGING CONTRAST AGENT EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-07-02 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-20090169481-A1 DENDRITIC POLYMERS AND MAGNETIC RESONANCE IMAGING CONTRAST AGENT EMPLOYING THE SAME DCLK1, MSR1, S1PR3 THRA 4502/4885THRB 4650/4885
US-20140228321-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, PNLIP, LPL THRA 4550/4885THRB 4156/4885
US-20090169480-A1 DENDRITIC POLYMERS AND MAGNETIC RESONANCE IMAGING CONTRAST AGENT EMPLOYING THE SAME CD14, DCUN1D3, CCR3 THRA 3177/4885THRB 4028/4885

“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.