SCHEMBL18679883

SCHEMBL18679883

CCCCCCCCOC(=O)C1(C)COC(C)(C)OC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
NAAA Q02083 1/20 0.46
CES2 O00748 1/20 0.44
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 2/20 0.41
PRKCA P17252 3/20 0.41
HCAR2 Q8TDS4 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL19367024 1.00 TSHR (0.46) TSHRNAAACES2EPHX1ALDH1A1
SCHEMBL20261666 0.86 ALDH1A1 (0.33) TSHRALDH1A1HCAR2LMNA
SCHEMBL19546111 0.85 PAOX (0.36) TSHRNAAALMNA
SCHEMBL28179059 0.85 NAAA (0.44) TSHRNAAACES2EPHX1ALDH1A1
SCHEMBL18679881 0.85 TSHR (0.37) TSHRNAAACES2EPHX1ALDH1A1
SCHEMBL12731629 0.84 TSHR (0.41) TSHRNAAACES2EPHX1ALDH1A1
SCHEMBL11158310 0.83 TSHR (0.49) TSHRNAAACES2EPHX1ALDH1A1
SCHEMBL14967788 0.83 TSHR (0.49) TSHRNAAACES2EPHX1ALDH1A1
SCHEMBL1537680 0.83 PRKCA (0.47) TSHRNAAAEPHX1PRKCA
SCHEMBL13539366 0.83 PRKCA (0.47) TSHRNAAAEPHX1PRKCA

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-20170087167-A1 MODIFICATION OF DRUGS FOR INCORPORATION INTO NANOPARTICLES THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2017-03-30 US disclosed
US-20170087167-A1 MODIFICATION OF DRUGS FOR INCORPORATION INTO NANOPARTICLES THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2017-03-30 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-20170087167-A1 MODIFICATION OF DRUGS FOR INCORPORATION INTO NANOPARTICLES NLN, PRNP, TPMT TSHR 4627/4885NAAA 110/4885CES2 346/4885

“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.