SCHEMBL11892811

SCHEMBL11892811

CC1CC1(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
DGAT1 O75907 1/20 0.31

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
SCHEMBL15617943 1.00 MAPK1 (0.36) MAPK1MEN1KMT2AEPHX2CHRM2
SCHEMBL18743086 1.00 MAPK1 (0.36) MAPK1MEN1KMT2AEPHX2CHRM2
SCHEMBL15423567 0.80 MAPK1 (0.37) MAPK1MEN1KMT2AEPHX2CHRM2
SCHEMBL4748069 0.79 MAPK1 (0.32) MAPK1CHRM2CHRM1CHRM3
SCHEMBL29188007 0.76 NR1H2 (0.39) MAPK1MEN1KMT2AEPHX2CHRM2
SCHEMBL30158886 0.76 MEN1 (0.31) MAPK1MEN1KMT2A
SCHEMBL30158900 0.76 NR1H2 (0.39) MAPK1MEN1KMT2AEPHX2CHRM2
SCHEMBL12033287 0.76 NR1H2 (0.33) MAPK1MEN1KMT2AEPHX2CHRM2
SCHEMBL29188005 0.76 NR1H2 (0.39) MAPK1MEN1KMT2AEPHX2CHRM2
SCHEMBL13330148 0.76 NR1H2 (0.33) MAPK1MEN1KMT2AEPHX2CHRM2

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-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-12-15 US disclosed
US-9296782-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2015-06-25 US disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 US disclosed
EP-1179750-B1 Positive photosensitive composition and method for producing a precision integrated circuit element using the same FUJIFILM CORP (JP) 2012-07-25 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 (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-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 MAPK1 3693/4885MEN1 3724/4885KMT2A 4659/4885
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 MAPK1 3681/4885MEN1 3419/4885KMT2A 4606/4885
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 MAPK1 3681/4885MEN1 3419/4885KMT2A 4606/4885

“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.