SCHEMBL6583328

SCHEMBL6583328

COc1ccc(C(C)=O)c(CCOC(C)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HPGD P15428 3/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
MAOB P27338 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
HSD17B10 Q99714 1/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 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
SCHEMBL28947738 0.86 ALDH1A1 (0.48) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL4708636 0.83 MTNR1A (0.46) CYP3A4MAPTPOLBL3MBTL1KDM4E
SCHEMBL48106 0.83 MTNR1A (0.59) HSD17B10MTNR1AMTNR1B
SCHEMBL5730634 0.80 ALDH1A1 (0.62) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL47914 0.80 APLNR (0.50) ALDH1A1POLBRAB9ANPC1HSD17B10
SCHEMBL7369145 0.80 POLB (0.63) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL1350452 0.80 ALDH1A1 (0.54) ALDH1A1HPGDCYP3A4MAPK1RAB9A
SCHEMBL14864225 0.79 ALDH1A1 (0.61) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL27974256 0.79 POLB (0.43) ALDH1A1CYP3A4MAPTPOLBL3MBTL1
SCHEMBL27387802 0.78 ALOX5 (0.52) ALDH1A1HPGDCYP3A4MAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 US disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 US disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 US disclosed
EP-1095939-B1 Process for the preparation of piperidinylaminomethyl trifluoromethyl cyclic ether compounds PFIZER PROD INC (US) 2004-01-07 EP disclosed
US-20030236268-A1 Process for the preparation of piperidinylaminomethyl trifluoromethyl cyclic ether compounds CARON STEPHANIE (US) 2003-12-25 US disclosed
US-6486325-B1 Process for the preparation of piperidinylaminomethyl trifluoromethyl cyclic ether compounds PFIZER INC 2002-11-26 US disclosed
EP-1095939-A2 Process for the preparation of piperidinylaminomethyl trifluoromethyl cyclic ether compounds Pfizer Products Inc. (US) 2001-05-02 EP 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 (2 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-20030236268-A1 Process for the preparation of piperidinylaminomethyl trifluoromethyl cyclic ether compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP1B1, PAICS ALDH1A1 284/4885HPGD 3196/4885CYP3A4 34/4885
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines NOS3, NOS1, NOS2 ALDH1A1 362/4885HPGD 763/4885CYP3A4 439/4885

“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.