SCHEMBL6876891

SCHEMBL6876891

COc1c(OCc2ccccc2)cnc(COC(C)=O)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
PTPN1 P18031 1/20 0.47
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK1 P28482 1/20 0.43
RXRA P19793 2/20 0.42
BRD4 O60885 1/20 0.42
ATM Q13315 1/20 0.41
PTGER1 P34995 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
PDE4D Q08499 1/20 0.40
EDNRA P25101 1/20 0.40
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 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
SCHEMBL9688618 0.85 AGXT (0.45) ALDH1A1SMN1; SMN2
SCHEMBL6875732 0.84 MAPT (0.50) PTPN1MAPTTDP1L3MBTL1SMN1; SMN2
SCHEMBL4687273 0.81 ALDH1A1 (0.53) ALDH1A1PTPN1MAPTTDP1L3MBTL1
SCHEMBL10922825 0.81 ALDH1A1 (0.55) ALDH1A1PTPN1MAPTTDP1L3MBTL1
SCHEMBL10247054 0.80 PTPN1 (0.55) ALDH1A1PTPN1MAPTTDP1L3MBTL1
Hydrochloric Acid SCHEMBL10371670 0.79 MAPT (0.47) MAPTTDP1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL4684596 0.79 ALDH1A1 (0.50) ALDH1A1PTPN1MAPTSMN1; SMN2HPGD
SCHEMBL10372977 0.78 L3MBTL1 (0.53) MAPTTDP1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL7952261 0.78 AGXT (0.62) ALDH1A1MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL19755566 0.77 ALDH1A1 (0.48) ALDH1A1PTPN1MAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040158066-A1 Novel pyridylmethylaminopyrimidines ALTANA PHARMA AG (DE) 2004-08-12 US disclosed
EP-1395592-A1 NOVEL PYRIDYLMETHYLAMINOPYRIMIDINES ALTANA Pharma AG (DE) 2004-03-10 EP disclosed
WO-2002094831-A1 NOVEL PYRIDYLMETHYLAMINOPYRIMIDINES ALTANA PHARMA AG (DE) 2002-11-28 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-20040158066-A1 Novel pyridylmethylaminopyrimidines PGLS, PLPBP, PDXK ALDH1A1 758/4885PTPN1 160/4885MAPT 4312/4885

“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.