SCHEMBL13034072

SCHEMBL13034072

CC(=O)OCCCOc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
KMT2A Q03164 4/20 0.54
NPC1 O15118 1/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FAAH O00519 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAOB P27338 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 3/20 0.48
LTA4H P09960 2/20 0.48
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL10030195 0.91 L3MBTL1 (0.59) POLBKMT2AL3MBTL1GAAALDH1A1
SCHEMBL24731345 0.84 MTNR1A (0.57) POLBKMT2ASMN1; SMN2L3MBTL1GAA
SCHEMBL14571065 0.84 L3MBTL1 (0.58) KMT2ANPC1L3MBTL1MAOBGAA
SCHEMBL25123654 0.82 KMT2A (0.50) KMT2ANPC1KDM4ESMN1; SMN2FAAH
SCHEMBL12818123 0.81 MAOB (0.51) KMT2ANPC1KDM4ESMN1; SMN2FAAH
SCHEMBL8328391 0.81 L3MBTL1 (0.59) NPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL14463088 0.81 POLB (0.51) POLBKMT2ANPC1KDM4ESMN1; SMN2
SCHEMBL10030181 0.81 L3MBTL1 (0.55) KMT2ASMN1; SMN2L3MBTL1GAAALDH1A1
SCHEMBL13692338 0.80 KDM4E (0.55) KDM4ESMN1; SMN2FAAHL3MBTL1MAOB
SCHEMBL16021736 0.79 MEN1 (0.50) POLBKMT2ANPC1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 POLB 3099/4885KMT2A 945/4885NPC1 745/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 POLB 3099/4885KMT2A 945/4885NPC1 745/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 POLB 3099/4885KMT2A 945/4885NPC1 745/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 POLB 3099/4885KMT2A 945/4885NPC1 745/4885

“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.