SCHEMBL13433286

SCHEMBL13433286

CC/C=C/C(=O)CCC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 4/20 0.36
PPARG P37231 4/20 0.34
PPARA Q07869 3/20 0.34
ALDH1A1 P00352 2/20 0.32
CYP19A1 P11511 2/20 0.32
RXRA P19793 2/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 1/20 0.32
TRPA1 O75762 1/20 0.31
F7 P08709 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
F3 P13726 1/20 0.31
PTGS1 P23219 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARD Q03181 1/20 0.31
IAPP P10997 1/20 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
SCHEMBL9004542 0.78
SCHEMBL15822486 0.77 PPARG (0.63) PPARGPPARACYP19A1MAPTF7
SCHEMBL9004541 0.77
SCHEMBL12264411 0.77 OXER1 (0.35) OXER1PPARGPPARAALDH1A1CYP19A1
SCHEMBL11238794 0.77
SCHEMBL14969570 0.77
SCHEMBL13433280 0.76
SCHEMBL13433285 0.76
SCHEMBL19176625 0.75 OXER1 (0.34) OXER1PPARGPPARAALDH1A1CYP19A1
SCHEMBL13062220 0.73 TRPA1 (0.36) OXER1PPARGPPARAALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9694086-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-07-04 US disclosed
US-9694086-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-07-04 US disclosed
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2017-05-18 US disclosed
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2017-05-18 US disclosed
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2016-08-25 US disclosed
US-20150031106-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-01-29 US disclosed
US-8741837-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-03 US disclosed
US-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-05-23 US disclosed
US-20130017991-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-01-17 US disclosed
US-20130017991-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-01-17 US disclosed
US-8309685-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2012-11-13 US disclosed
US-8309685-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2012-11-13 US disclosed
US-8293705-B2 HCV protease inhibitors and uses thereof AVILA THERAPEUTICS, INC. (US) 2012-10-23 US disclosed
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-03-18 US disclosed
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-03-18 US disclosed
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 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 (7 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-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC OXER1 4768/4885PPARG 2681/4885PPARA 1829/4885
US-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC OXER1 4768/4885PPARG 2681/4885PPARA 1829/4885
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC OXER1 4768/4885PPARG 2681/4885PPARA 1829/4885
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC OXER1 4768/4885PPARG 2681/4885PPARA 1829/4885
US-20150031106-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC OXER1 4768/4885PPARG 2681/4885PPARA 1829/4885
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC OXER1 4768/4885PPARG 2681/4885PPARA 1829/4885
US-20130017991-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC OXER1 4768/4885PPARG 2681/4885PPARA 1829/4885

“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.