SCHEMBL11976459

SCHEMBL11976459

CCCCCCc1ccc(-c2cc(-c3ccc(CCCCCC)cc3)nc(-c3ccc(-c4ccccc4)nc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
NPC1 O15118 6/20 0.56
MAPT P10636 5/20 0.56
STAT3 P40763 1/20 0.56
ATM Q13315 1/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.52
CASP3 P42574 2/20 0.52
SENP8 Q96LD8 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP6 Q9GZR1 2/20 0.52
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL11976457 0.95 RAB9A (0.55) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL11976416 0.94 RAB9A (0.58) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL11976461 0.93 RAB9A (0.60) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL12628232 0.89 HSD11B1 (0.56) RAB9ASMN1; SMN2NPC1MAPTNFKB1
SCHEMBL11976425 0.89 RAB9A (0.62) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL11976417 0.88 RAB9A (0.56) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL18790889 0.88 RAB9A (0.63) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL11976446 0.88 RAB9A (0.63) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL11976436 0.87 RAB9A (0.55) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL11976426 0.86 RAB9A (0.55) RAB9ASMN1; SMN2NPC1MAPTSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492276-A1 METAL COMPLEX, POLYMER, AND ELEMENT OBTAINED USING SAME Sumitomo Chemical Company, Limited (JP) 2012-08-29 EP disclosed
US-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-16 US disclosed
US-20110124808-A1 POLYMERIC COMPOUND CONTAINING METAL COMPLEX RESIDUE AND ELEMENT COMPRISING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-26 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 (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-20110124808-A1 POLYMERIC COMPOUND CONTAINING METAL COMPLEX RESIDUE AND ELEMENT COMPRISING SAME ZRANB2, ZKSCAN2, SLC39A3 RAB9A 1992/4885SMN1; SMN2 2478/4885NPC1 4530/4885
US-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME HDAC10, EMG1, PRMT1 RAB9A 470/4885SMN1; SMN2 2080/4885NPC1 1597/4885

“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.