SCHEMBL10033965

SCHEMBL10033965

CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1/N=N/c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
GAA P10253 2/20 0.56
KMT2A Q03164 3/20 0.53
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
MEN1 O00255 1/20 0.46
CHRNA7 P36544 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL51072 0.82 TSHR (0.70) TSHRGAAKMT2ASCN1ASCN2A
SCHEMBL243559 0.79 TSHR (0.70) TSHRGAAKMT2ASCN1ASCN2A
SCHEMBL294975 0.79 TSHR (0.70) TSHRGAAKMT2ASCN1ASCN2A
SCHEMBL19720352 0.78 TSHR (0.68) TSHRGAAKMT2ASCN1ASCN2A
SCHEMBL1138721 0.77 KMT2A (0.84) TSHRGAAKMT2ASCN1ASCN2A
SCHEMBL7857242 0.77 TSHR (0.67) TSHRGAAKMT2ASCN1ASCN2A
SCHEMBL27690100 0.77 TSHR (0.67) TSHRGAAKMT2ASCN1ASCN2A
SCHEMBL28108099 0.77 TSHR (0.67) TSHRGAAKMT2ASCN1ASCN2A
SCHEMBL7533362 0.77 TSHR (0.75) TSHRGAAKMT2ASCN1ASCN2A
SCHEMBL9657743 0.77 TSHR (0.71) TSHRGAAKMT2ASCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940806-B2 Polymerizable compositions BASF SE (DE) 2015-01-27 US disclosed
US-8940806-B2 Polymerizable compositions BASF SE (DE) 2015-01-27 US disclosed
US-20120041093-A1 POLYMERIZABLE COMPOSITIONS BASF SE (DE) 2012-02-16 US disclosed
US-20120041093-A1 POLYMERIZABLE COMPOSITIONS BASF SE (DE) 2012-02-16 US disclosed
WO-2010112410-A1 POLYMERIZABLE COMPOSITIONS BASF SE (DE) 2010-10-07 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-20120041093-A1 POLYMERIZABLE COMPOSITIONS H1-10, CBR1, NR1H2 TSHR 1205/4885GAA 4844/4885KMT2A 675/4885

“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.