SCHEMBL14048718

SCHEMBL14048718

CCC(C)(C)CCC(=O)OCCCCCCOC(=O)CCC(C)(C)CC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.47
▸ DGKA P23743 1/20 0.47
▸ HTR2C P28335 1/20 0.46
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ FAAH O00519 1/20 0.40
▸ DNM1 Q05193 1/20 0.40
▸ ADRA2A P08913 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ BLM P54132 1/20 0.35

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
SCHEMBL14344628 0.98 NAAA (0.44) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL14472726 0.93 NAAA (0.40) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL14286142 0.89 HTR2C (0.39) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL14286140 0.87 HTR2C (0.36) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL28718240 0.86 DGKA (0.59) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL21226023 0.83 DGKA (0.47) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL14565821 0.83 DGKA (0.46) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL20512125 0.82 NAAA (0.55) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL20512074 0.82 NAAA (0.55) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL15693101 0.82 NAAA (0.47) NAAADGKAHTR2CPRSS1PRSS2

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-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-10-02 — — US disclosed
EP-1639029-B1 BIODEGRADABLE POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2007-07-11 — — EP 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-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof PARN, PARG, POLL NAAA 197/4885DGKA 1844/4885HTR2C 3755/4885

“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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