SCHEMBL9946160

SCHEMBL9946160

Cc1ccc(C2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.36
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ELANE P08246 1/20 0.30
HPGDS O60760 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
SCHEMBL4245328 0.79 DRD2 (0.42) TNKSHDAC1HDAC6
SCHEMBL9946158 0.79 CYP2A6 (0.33)
SCHEMBL12502375 0.78 HCAR3 (0.40)
SCHEMBL17863581 0.76 MAPK1 (0.37)
SCHEMBL16776505 0.75 TRPV4 (0.43)
SCHEMBL17863623 0.74 PIK3CA (0.31)
SCHEMBL9946119 0.73 ACHE (0.38)
SCHEMBL9941232 0.72 TNKS (0.31) TNKS
SCHEMBL23373628 0.72 UHRF1 (0.42)
SCHEMBL16935222 0.72 CHRNA7 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630958-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2017-04-25 US disclosed
US-20150197515-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2015-07-16 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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 (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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 TNKS 346/4885ADRA2A 64/4885ADRA2B 70/4885
US-20150197515-A1 NOVEL TRIAZINE COMPOUNDS MTOR, PIK3R5, PIK3R2 TNKS 299/4885ADRA2A 2242/4885ADRA2B 2074/4885

“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.