SCHEMBL3729705

SCHEMBL3729705

OCCOCc1ccc(CCOc2ncnc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
RAB9A P51151 4/20 0.51
NPC1 O15118 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 2/20 0.48
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
RXFP1 Q9HBX9 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL12457288 0.90 LMNA (0.54) LMNARAB9ANPC1L3MBTL1TSHR
SCHEMBL23867673 0.90 LMNA (0.54) LMNARAB9ANPC1L3MBTL1TSHR
SCHEMBL11938505 0.87 LMNA (0.54) LMNARAB9ANPC1L3MBTL1TSHR
SCHEMBL12757837 0.87 LMNA (0.54) LMNARAB9ANPC1L3MBTL1TSHR
SCHEMBL8548256 0.85 RAB9A (0.57) LMNARAB9ANPC1L3MBTL1TSHR
SCHEMBL1627176 0.84 RAB9A (0.54) LMNARAB9ANPC1L3MBTL1TSHR
SCHEMBL8548739 0.82 RAB9A (0.69) LMNARAB9ANPC1L3MBTL1TSHR
SCHEMBL14583007 0.81 LMNA (0.51) LMNARAB9ANPC1L3MBTL1TSHR
SCHEMBL8546894 0.81 LMNA (0.64) LMNARAB9ANPC1L3MBTL1TSHR
SCHEMBL8542920 0.80 RAB9A (0.57) LMNARAB9ANPC1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7824659-B2 Methods of making radiolabeled tracers and precursors thereof LANTHEUS MEDICAL IMAGING, INC. (US) 2010-11-02 US disclosed
EP-1926500-A2 METHODS OF MAKING RADIOLABELED TRACERS AND PRECURSORS THEREOF Bristol-Myers Squibb Pharma Company (US) 2008-06-04 EP disclosed
WO-2007021858-A2 METHODS OF MAKING RADIOLABELED TRACERS AND PRECURSORS THEREOF BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-22 WO disclosed
US-20070036716-A1 2-tert-Butyl-4-chloro-5-[4-(2-[18F]-fluoro-ethoxymethyl)-benzyloxy]-2H-pyridazin-3-one used as Positron Emission Tomography (PET) radiolabeled tracers LANTHEUS MEDICAL IMAGING, INC. 2007-02-15 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-20070036716-A1 2-tert-Butyl-4-chloro-5-[4-(2-[18F]-fluoro-ethoxymethyl)-benzyloxy]-2H-pyridazin-3-one used as Positron Emission Tomography (PET) radiolabeled tracers TMEM14C, TERT, TK1 LMNA 3579/4885RAB9A 808/4885NPC1 894/4885

“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.