SCHEMBL10158650

SCHEMBL10158650

CCc1cc2c(cc1C)OCCC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 0.42
WNT3A P56704 7/20 0.42
HTR1D P28221 1/20 0.41
HTR2C P28335 1/20 0.41
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
P2RX7 Q99572 2/20 0.36
NOTUM Q6P988 1/20 0.35
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
KCNH2 Q12809 1/20 0.34
PIR O00625 1/20 0.33
HSF1 Q00613 1/20 0.33

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
SCHEMBL13861832 0.81 HTR1D (0.40) CTNNB1WNT3AHTR1DHTR2CCLK1
SCHEMBL10158006 0.81 CTNNB1 (0.41) CTNNB1WNT3AHTR1DHTR2CCLK1
SCHEMBL14405286 0.81 CTNNB1 (0.41) CTNNB1WNT3AHTR1DHTR2CCLK1
SCHEMBL24459217 0.77 HPGD (0.42) CTNNB1WNT3A
SCHEMBL22792437 0.76 HTR1D (0.39) CTNNB1WNT3AHTR1DHTR2CCLK1
SCHEMBL10158236 0.75 CTNNB1 (0.38) CTNNB1WNT3AHTR1DHTR2CCLK1
SCHEMBL31015934 0.75 CTNNB1 (0.38) CTNNB1WNT3AHTR1DHTR2CCLK1
SCHEMBL13862859 0.75 CTNNB1 (0.38) CTNNB1WNT3AHTR1DHTR2CCLK1
SCHEMBL26136414 0.75 CTNNB1 (0.38) CTNNB1WNT3AHTR1DHTR2CCLK1
SCHEMBL8765908 0.75 CTNNB1 (0.50) CTNNB1WNT3AMTNR1AMTNR1BPIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377960-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-02-19 US disclosed
US-8354429-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-01-15 US disclosed
EP-2220076-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2012-01-18 EP disclosed
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-02-03 US disclosed
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-09 US disclosed
WO-2009062285-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062289-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062308-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062288-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO 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 (2 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-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 CTNNB1 4226/4885WNT3A 3673/4885HTR1D 3529/4885
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E CTNNB1 4012/4885WNT3A 3841/4885HTR1D 3517/4885

“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.