SCHEMBL11976458

SCHEMBL11976458

CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccccc4)nc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
MAPT P10636 6/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 5/20 0.46
NTSR1 P30989 1/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDO2 P48775 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
KIF11 P52732 1/20 0.41
LDHA P00338 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
KDM4E B2RXH2 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
LMNA P02545 2/20 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
SCHEMBL11976415 0.92 RAB9A (0.47) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL11976462 0.92 NPC1 (0.50) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL11976453 0.91 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL11976437 0.91 RAB9A (0.46) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL11976451 0.91 RAB9A (0.46) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL11976450 0.90 KIF11 (0.42) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19794513 0.89 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL11976456 0.89 DHODH (0.46) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL2251067 0.88 KIF11 (0.49) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL2249838 0.88 KIF11 (0.49) MEN1KMT2AMAPTALDH1A1HPGD

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
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
EP-2298828-A1 POLYMERIC COMPOUND CONTAINING METAL COMPLEX RESIDUE AND ELEMENT COMPRISING SAME Sumitomo Chemical Company, Limited (JP) 2011-03-23 EP 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-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME HDAC10, EMG1, PRMT1 MEN1 484/4885KMT2A 420/4885MAPT 4331/4885

“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.