SCHEMBL42555

SCHEMBL42555

O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1nc2ccccc2nc1O)NCCc1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MT-CO2 P00403 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
MAOB P27338 1/20 0.39
SNCA P37840 1/20 0.39
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 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
SCHEMBL15294939 0.86 RAB9A (0.51) GFERADORA2AADORA1NPC1RAB9A
SCHEMBL42291 0.81 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13056574 0.80 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL23308032 0.79 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL13056573 0.79 MEN1 (0.40) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL18680081 0.78 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL13056575 0.78 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13056576 0.77 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL24012381 0.77 KDM4E (0.66) GFERSMN1; SMN2KDM4ELMNAMAPT
SCHEMBL18685198 0.76 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3764084-A1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY Ventana Medical Systems, Inc. (US) 2021-01-13 EP disclosed
EP-3764083-A1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY Ventana Medical Systems, Inc. (US) 2021-01-13 EP disclosed
EP-2972227-B1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY VENTANA MED SYST INC (US) 2020-05-06 EP disclosed
US-10041950-B2 Signaling conjugates and methods of use VENTANA MEDICAL SYSTEMS, INC. (US) 2018-08-07 US disclosed
EP-2831587-B1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MED SYST INC (US) 2018-05-16 EP disclosed
US-20140267672-A1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY VENTANA MEDICAL SYSTEMS, INC. 2014-09-18 US disclosed
US-20140267672-A1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY VENTANA MEDICAL SYSTEMS, INC. 2014-09-18 US disclosed
WO-2014143155-A1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY VENTANA MEDICAL SYSTEMS, INC. (US) 2014-09-18 WO disclosed
US-20130260379-A1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MEDICAL SYSTEMS, INC. (US) 2013-10-03 US disclosed
US-20130260379-A1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MEDICAL SYSTEMS, INC. (US) 2013-10-03 US disclosed
EP-2588443-A2 HAPTEN CONJUGATES FOR TARGET DETECTION Ventana Medical Systems, Inc. (US) 2013-05-08 EP disclosed
US-20130109019-A1 HAPTEN CONJUGATES FOR TARGET DETECTION VENTANA MEDICAL SYSTEMS, INC. 2013-05-02 US disclosed
WO-2012003476-A2 HAPTEN CONJUGATES FOR TARGET DETECTION VENTANA MEDICAL SYSTEMS, INC. (US) 2012-01-05 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-20130109019-A1 HAPTEN CONJUGATES FOR TARGET DETECTION TYR, TH, TYRO3 GFER 1832/4885ADORA2A 2326/4885ADORA1 2751/4885

“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.