SCHEMBL7438547

SCHEMBL7438547

CC(C)(C)[Si](C)(C)Oc1ccccc1CCO

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
RIPK1 Q13546 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
AOC3 Q16853 1/20 0.33
IDO1 P14902 1/20 0.33
BACE1 P56817 1/20 0.32
HTT P42858 1/20 0.32
MPO P05164 1/20 0.32

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
SCHEMBL2675279 0.90 ELANE (0.38) NPSR1TAAR1RIPK1MPO
SCHEMBL30039264 0.86 CYP4F2 (0.36) RIPK1IDO1BACE1HTT
SCHEMBL6943654 0.86 CYP4F2 (0.36) RIPK1IDO1BACE1HTT
SCHEMBL3255650 0.86 TAAR1 (0.31) TAAR1IDO1
SCHEMBL19812300 0.85 TAAR1 (0.37) NPSR1TAAR1RIPK1ALDH1A1SIGMAR1
SCHEMBL8700617 0.85 ADRA2A (0.41) NPSR1TAAR1RIPK1
SCHEMBL13442234 0.84 TBXA2R (0.33) SIGMAR1
SCHEMBL388941 0.83 TAAR1 (0.56) TAAR1
SCHEMBL9621391 0.82 TAAR1 (0.40) TAAR1MTNR1AMTNR1BALDH1A1SIGMAR1
SCHEMBL16113242 0.82 TAAR1 (0.35) NPSR1TAAR1RIPK1ALDH1A1SIGMAR1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663536-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-05-30 US disclosed
US-9663536-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-05-30 US disclosed
EP-2970274-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-03-01 EP disclosed
EP-2970301-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-01-11 EP disclosed
US-9540393-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-01-10 US disclosed
US-9540393-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-01-10 US disclosed
US-9527842-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2016-12-27 US disclosed
US-9527842-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2016-12-27 US disclosed
US-20160039844-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-02-11 US disclosed
US-20160039844-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-02-11 US disclosed
US-20160002263-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-01-07 US disclosed
WO-2014164428-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-09 WO disclosed
WO-2014159076-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-02 WO disclosed
WO-2014159959-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-02 WO disclosed
EP-2776038-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo Inc. (US) 2014-09-17 EP disclosed
WO-2013071169-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 WO disclosed
EP-0904284-A1 6-SUBSTITUTED AMINO-4-OXA-1-AZABICYCLO (3,2,0) HEPTAN-7-ONE DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (CA) 1999-03-31 EP disclosed
WO-1997038008-A1 6-SUBSTITUTED AMINO-4-OXA-1-AZABICYCLO[3,2,0] HEPTAN-7-ONE DERIV ATIVES AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (US) 1997-10-16 WO disclosed
EP-0307106-B1 P- OR M-TERT BUTOXYPHENETHYL ALCOHOL AND PROCESS FOR PREPARING THE SAME HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1992-01-15 EP disclosed
EP-0307106-A1 P- or m-tert butoxyphenethyl alcohol and process for preparing the same HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1989-03-15 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 (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-20160039844-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS NPSR1 4624/4885TAAR1 4796/4885RIPK1 1631/4885
US-20160002263-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, EFTUD2, SARS1 NPSR1 4825/4885TAAR1 4882/4885RIPK1 1183/4885

“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.