SCHEMBL9918853

SCHEMBL9918853

C#CCC(c1cccc(OC)c1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.46
CASR P41180 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
POLB P06746 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HRH1 P35367 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
HTR5A P47898 1/20 0.40
HTR6 P50406 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40

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
SCHEMBL9918217 0.85 PTGS1 (0.50) CASRTAAR1
SCHEMBL9918230 0.84 PBRM1 (0.47) AOC3CASRL3MBTL1TAAR1POLB
SCHEMBL18403140 0.80 AOC3 (0.50) AOC3CASRL3MBTL1TAAR1
SCHEMBL18320847 0.80 AOC3 (0.50) AOC3CASRL3MBTL1TAAR1
SCHEMBL15195453 0.79 AOC3 (0.59) AOC3CASRL3MBTL1
SCHEMBL27536288 0.79 AOC3 (0.49) AOC3CASRL3MBTL1TAAR1
SCHEMBL7412592 0.79 TAAR1 (0.56) AOC3CASRL3MBTL1TAAR1
SCHEMBL10245271 0.78 AOC3 (0.48) AOC3CASRL3MBTL1TAAR1
SCHEMBL9918846 0.78 AOC3 (0.41) AOC3TAAR1SLC6A2
SCHEMBL9918834 0.78 CYP3A4 (0.41) TAAR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, 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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 AOC3 2349/4885CASR 4523/4885L3MBTL1 4483/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 AOC3 2336/4885CASR 4505/4885L3MBTL1 4676/4885

“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.