SCHEMBL2030320

SCHEMBL2030320

CCOc1cc(CP(=O)(OCC)OCC)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 2/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
HDAC1 Q13547 2/20 0.42
CCNT1 O60563 5/20 0.41
CDK9 P50750 5/20 0.41
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
RAB9A P51151 1/20 0.39
CREBBP Q92793 1/20 0.38
APOBEC3G Q9HC16 1/20 0.37
LMNA P02545 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
SCHEMBL2029808 0.88 ALDH1A1 (0.56) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL2637650 0.83 ALDH1A1 (0.53) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL5454309 0.81 SKP2 (0.47) ALDH1A1POLBMAPTHDAC1CCNT1
SCHEMBL2032181 0.80 HDAC1 (0.42) POLBMAPTHDAC1CCNT1CDK9
SCHEMBL2030288 0.80 CYP3A4 (0.49) ALDH1A1HSD17B10POLBMAPK1MAPT
SCHEMBL9279523 0.80 HDAC1 (0.42) ALDH1A1POLBMAPTHDAC1CCNT1
SCHEMBL3277259 0.77 ALDH1A1 (0.66) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL9950354 0.76 CA2 (0.52) ALDH1A1POLBKDM4ECCNT1CDK9
SCHEMBL30477927 0.76 CA2 (0.52) ALDH1A1POLBKDM4ECCNT1CDK9
SCHEMBL3375825 0.76 TSHR (0.50) POLBMAPTHDAC1CCNT1CDK9

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 ALDH1A1 1117/4885HSD17B10 4560/4885MEN1 3486/4885

“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.