SCHEMBL3613077

SCHEMBL3613077

COc1ccc(C(c2ccc(OC)cc2)(c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)C(O)CCCCCNC(=O)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MTNR1A P48039 9/20 0.39
MTNR1B P49286 8/20 0.39
NQO2 P16083 6/20 0.39
NAMPT P43490 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
DRD4 P21917 1/20 0.35
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL3605593 0.97 NAMPT (0.39) NPC1RAB9AMTNR1AMTNR1BNQO2
SCHEMBL14153341 0.84 NPC1 (0.42) NPC1RAB9AMTNR1AMTNR1BNQO2
SCHEMBL14153345 0.81 NAMPT (0.40) NPC1RAB9AMTNR1AMTNR1BNQO2
SCHEMBL3611654 0.79 NPC1 (0.41) NPC1RAB9AHDAC1HDAC8SMN1; SMN2
SCHEMBL3609220 0.78 KMT2A (0.39) NPC1RAB9AHDAC1HDAC8CYP2D6
SCHEMBL3611740 0.77 HDAC1 (0.39) NPC1RAB9AMTNR1AMTNR1BNQO2
SCHEMBL7740161 0.72 CA1 (0.55) HDAC1HDAC8HPGDCYP2D6MAPT
SCHEMBL1764094 0.71 CA1 (0.45) HDAC1HDAC8HPGDCYP2D6MAPT
SCHEMBL14023026 0.71 CA1 (0.45) HDAC1HDAC8HPGDCYP2D6MAPT
SCHEMBL766395 0.70 CA1 (0.44) HDAC1HDAC8HPGDCYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741044-B2 Libraries of oligomers labeled with different tags OXFORD GENE TECHNOLOGY IP LIMITED 2010-06-22 US disclosed
US-20090029866-A1 Libraries of oligomers labeled with different tags OXFORD GENE TECHNOLOGY IP LIMITED 2009-01-29 US disclosed
US-7399846-B2 Libraries of oligomers labeled with different tags OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2008-07-15 US disclosed
US-20050003408-A1 Libraries of oligomers labeled with different tags ISIS INNOVATION LIMITED (GB) 2005-01-06 US disclosed
US-6780981-B1 MAKING A SET OF LABELLED COMPOUNDS BY THE USE OF PARTICULATE SUPPORT, COMPRISES DIVIDING THE SUPPORT INTO LOTS, PERFORMING A DIFFERENT CHEMICAL REACTION ON EACH LOT OF THE SUPPORT OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2004-08-24 US disclosed
EP-1428810-A2 Libraries of oligomers labelled with different tags Oxford Gene Technology IP Limited (GB) 2004-06-16 EP disclosed
EP-1068216-B1 LIBRARIES OF OLIGOMERS LABELLED WITH DIFFERENT TAGS ISIS INNOVATION (GB) 2003-12-10 EP disclosed
EP-1068216-A2 LIBRARIES OF OLIGOMERS LABELLED WITH DIFFERENT TAGS ISIS INNOVATION LIMITED (GB) 2001-01-17 EP disclosed
WO-1999060007-A2 LIBRARIES OF OLIGOMERS LABELLED WITH DIFFERENT TAGS ISIS INNOVATION LIMITED (GB) 1999-11-25 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-20090029866-A1 Libraries of oligomers labeled with different tags FBL, HNRNPL, MTREX NPC1 3673/4885RAB9A 3491/4885MTNR1A 4187/4885

“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.