SCHEMBL11976451

SCHEMBL11976451

CC(C)(C)c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(C(C)(C)C)cc5)cc4)nc(-c4ccc(-c5ccccc5)nc4)n3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
KIF11 P52732 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
LDHA P00338 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
HPGDS O60760 1/20 0.41

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
SCHEMBL11976437 1.00 RAB9A (0.46) RAB9ANPC1KIF11MEN1KMT2A
SCHEMBL11976415 0.98 RAB9A (0.47) RAB9ANPC1KIF11MEN1KMT2A
SCHEMBL2249838 0.97 KIF11 (0.49) RAB9ANPC1KIF11MEN1KMT2A
SCHEMBL2251067 0.97 KIF11 (0.49) RAB9ANPC1KIF11MEN1KMT2A
SCHEMBL11976450 0.93 KIF11 (0.42) RAB9ANPC1KIF11MEN1KMT2A
SCHEMBL11976448 0.92 NPC1 (0.53) RAB9ANPC1KIF11MEN1KMT2A
SCHEMBL11976458 0.91 MEN1 (0.46) RAB9ANPC1KIF11MEN1KMT2A
SCHEMBL12622269 0.91 NPC1 (0.50) RAB9ANPC1KIF11KMT2AMAPT
SCHEMBL12014983 0.90 LDHA (0.41) RAB9ANPC1KIF11MEN1KMT2A
SCHEMBL11976447 0.89 NPC1 (0.47) RAB9ANPC1KIF11MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492276-B1 METAL COMPLEX, POLYMER, AND ELEMENT OBTAINED USING SAME SUMITOMO CHEMICAL CO (JP) 2014-10-08 EP disclosed
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-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
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 1992/4885NPC1 4530/4885KIF11 2224/4885
US-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME HDAC10, EMG1, PRMT1 RAB9A 470/4885NPC1 1597/4885KIF11 1271/4885

“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.