SCHEMBL612813

SCHEMBL612813

CC1(C)CC(O)CC(C)(C)N1/N=N/c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.51
NOS1 P29475 4/20 0.42
MAPT P10636 6/20 0.40
ALDH1A1 P00352 6/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
PLAU P00749 1/20 0.40
HSP90AA1 P07900 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPK1 P28482 4/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL612814 1.00 CYP1B1 (0.51) CYP1B1NOS1MAPTALDH1A1POLB
SCHEMBL537625 0.81 RAB9A (0.39) MAPTALDH1A1POLBGAAPLAU
SCHEMBL27999018 0.71 CYP1B1 (0.47) CYP1B1NOS1MAPTALDH1A1POLB
SCHEMBL10056650 0.70 CYP1B1 (0.72) CYP1B1MAPTALDH1A1GAARAB9A
SCHEMBL14709139 0.69 CYP1B1 (0.70) CYP1B1MAPTALDH1A1POLBGAA
SCHEMBL3282776 0.69 MEN1 (0.61) CYP1B1NOS1MAPTALDH1A1POLB
SCHEMBL3282773 0.69 MEN1 (0.61) CYP1B1NOS1MAPTALDH1A1POLB
SCHEMBL10056654 0.68 CYP1B1 (1.00) CYP1B1MAPTALDH1A1KMT2ARAB9A
SCHEMBL14697977 0.67 CYP1A1 (0.57) CYP1B1MAPTALDH1A1POLBMAPK1
SCHEMBL14697579 0.67 CYP1A1 (0.57) CYP1B1MAPTALDH1A1POLBMAPK1

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
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

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 CYP1B1 72/4885NOS1 1964/4885MAPT 3756/4885

“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.