SCHEMBL18159166

SCHEMBL18159166

CC(OC(=O)CN)C(=O)OC(C)C(=O)OCCCCCCOC(=O)C(C)OC(=O)C(C)OC(=O)CN

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
NAAA Q02083 1/20 0.36
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FAAH O00519 1/20 0.31
LMNA P02545 2/20 0.31
EPHX1 P07099 1/20 0.31
TSHR P16473 3/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
ACHE P22303 4/20 0.30

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
SCHEMBL25676841 0.88 HTR2C (0.33) HTR2C
SCHEMBL18354228 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL18686180 0.83 TSHR (0.36) HTR2CNPSR1LMNATSHRALDH1A1
SCHEMBL14702361 0.77 NAAA (0.36) NAAAEPHX1TSHRALDH1A1CYP3A4
SCHEMBL22971403 0.77 CYP1A2 (0.41) LMNAALDH1A1
SCHEMBL16943384 0.77 NAAA (0.36) NAAAEPHX1TSHRALDH1A1CYP3A4
SCHEMBL26298907 0.75 KDM4E (0.38) LMNATSHR
SCHEMBL10000217 0.75 NAAA (0.33) NAAAEPHX1TSHRALDH1A1CYP3A4
SCHEMBL13886401 0.74 DGKA (0.45) LMNAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL4460727 0.74 LMNA (0.62) NAAALMNAALDH1A1PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303242-A1 Pharmaceutically Active Agent Complexes, Polymer Complexes, and Compositions and Methods Involving the Same DURECT CORPORATION (US) 2016-10-20 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 (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-20160303242-A1 Pharmaceutically Active Agent Complexes, Polymer Complexes, and Compositions and Methods Involving the Same PAICS, PARG, PUF60 HTR2C 3961/4885NAAA 791/4885RAD52 1428/4885

“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.