SCHEMBL2034729

SCHEMBL2034729

CC(C)OP(=O)(Cc1cccc(N)c1)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
CYP19A1 P11511 1/20 0.40
CCNT1 O60563 5/20 0.39
CDK9 P50750 5/20 0.39
GLA P06280 1/20 0.38
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ABHD6 Q9BV23 1/20 0.35

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
SCHEMBL9506003 0.81 GLA (0.38) GLAPGK1PGK2ALDH1A1L3MBTL1
SCHEMBL5773683 0.80 FDPS (0.38) CYP19A1PGK1PGK2ALDH1A1L3MBTL1
SCHEMBL5403459 0.79 ALDH1A1 (0.52) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL478915 0.79 CCNT1 (0.56) MAOBMAOACYP19A1CCNT1CDK9
SCHEMBL2030867 0.78 GLA (0.59) MAOBMAOACYP19A1GLAPGK1
SCHEMBL2032607 0.76 TSHR (0.50) MAOBMAOACCNT1CDK9ALDH1A1
SCHEMBL2030119 0.75 MAOB (0.48) MAOBMAOACYP19A1GLAABHD6
SCHEMBL28386683 0.75 MAOB (0.48) MAOBMAOACYP19A1GLAABHD6
SCHEMBL2029319 0.73 MAOA (0.46) MAOBMAOACYP19A1CCNT1CDK9
SCHEMBL2052212 0.72 CCNT1 (0.40) MAOBMAOACYP19A1CCNT1CDK9

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-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 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-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS MAOB 2330/4885MAOA 3295/4885CYP19A1 3576/4885

“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.