SCHEMBL2069873

SCHEMBL2069873

CC(C)Oc1cccc(OC(C)C)c1OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.46
IRAK4 Q9NWZ3 2/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 2/20 0.42
ACHE P22303 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HTR1A P08908 2/20 0.39
HTR1D P28221 2/20 0.39
HTR2C P28335 2/20 0.39
HTR7 P34969 2/20 0.39
HTR5A P47898 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL19612192 0.91 SMN1; SMN2 (0.47) MCHR1IRAK4CA1CA2CA7
SCHEMBL2400561 0.86 MCHR1 (0.41) MCHR1IRAK4CA1CA2CA7
SCHEMBL16606241 0.86 SCN4A (0.42) MCHR1IRAK4CA1CA2CA7
SCHEMBL27867050 0.85 ALDH1A1 (0.42) MCHR1IRAK4ALDH1A1ACHENPSR1
SCHEMBL24926176 0.85 SMN1; SMN2 (0.50) CA1CA2CA7CA9ALDH1A1
SCHEMBL17912820 0.85 NPSR1 (0.46) MCHR1IRAK4CA1CA2CA7
SCHEMBL19612291 0.84 CSNK2A1 (0.41) MCHR1IRAK4CA1CA2CA7
SCHEMBL16606250 0.84 MCHR1 (0.40) MCHR1IRAK4CA1CA2CA7
SCHEMBL4959391 0.84 ALDH1A1 (0.43) MCHR1IRAK4CA1CA2CA7
SCHEMBL8773591 0.84 MCHR1 (0.40) MCHR1IRAK4CA1CA2CA7

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-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 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 (1 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-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 MCHR1 1248/4885IRAK4 4086/4885CA1 1857/4885

“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.