SCHEMBL9281995

SCHEMBL9281995

COc1cc(CP(=O)(O)C(C)C)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
FOS P01100 1/20 0.39
TTR P02766 1/20 0.39
JUN P05412 1/20 0.39
NR3C1 P04150 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
MET P08581 2/20 0.38
LDHA P00338 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP19A1 P11511 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL2636910 0.84 ALDH1A1 (0.61) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL2637408 0.83 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL9281248 0.83 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL9275716 0.78 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL9274715 0.78 GRM8 (0.43) ALDH1A1CYP3A4TDP1HTTGAA
SCHEMBL2029808 0.75 ALDH1A1 (0.56) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL2033064 0.74 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL2034890 0.73 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL2036023 0.73 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL2029517 0.73 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646448-B1 MACROCYCLIC KINASE INHIBITORS OSI PHARMACEUTICALS LLC (US) 2017-08-30 EP disclosed
US-9133224-B2 Macrocyclic kinase inhibitors OSI Pharmaceuticals, LLC (US) 2015-09-15 US disclosed
EP-2646448-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2013-10-09 EP disclosed
US-20130261086-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2013-10-03 US disclosed
WO-2012074951-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2012-06-07 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 (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-20130261086-A1 MACROCYCLIC KINASE INHIBITORS PTK2, SRC, PTK2B ALDH1A1 2336/4885TSHR 2146/4885CYP3A4 2521/4885

“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.