SCHEMBL755078

SCHEMBL755078

CCOC(=O)CCCCCCCOC(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.44
DNM1 Q05193 1/20 0.42
USP2 O75604 1/20 0.42
PAM P19021 2/20 0.42

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
SCHEMBL16707217 0.98 CYP1A2 (0.52) DGKACYP1A2MAPTLMNAALDH1A1
SCHEMBL13323625 0.92 CYP1A2 (0.53) DGKACYP1A2MAPTLMNAALDH1A1
SCHEMBL14180061 0.86 DGKA (0.47) DGKACYP1A2MAPTLMNAALDH1A1
SCHEMBL14180017 0.86 DGKA (0.47) DGKACYP1A2MAPTLMNAALDH1A1
SCHEMBL3882499 0.86 DGKA (0.61) DGKAMAPTLMNAALDH1A1TSHR
SCHEMBL14180018 0.86 DGKA (0.47) DGKACYP1A2MAPTLMNAALDH1A1
SCHEMBL14180021 0.86 DGKA (0.47) DGKACYP1A2MAPTLMNAALDH1A1
SCHEMBL14180019 0.86 DGKA (0.47) DGKACYP1A2MAPTLMNAALDH1A1
SCHEMBL3823424 0.84 CYP1A2 (0.47) DGKACYP1A2MAPTLMNAALDH1A1
SCHEMBL17148353 0.84 DGKA (0.53) DGKAMAPTLMNAALDH1A1TSHR

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-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT DGKA 4084/4885CYP1A2 1120/4885MAPT 4635/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI DGKA 4384/4885CYP1A2 875/4885MAPT 4426/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI DGKA 4384/4885CYP1A2 875/4885MAPT 4426/4885

“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.