SCHEMBL9249394

SCHEMBL9249394

COc1cc(C(C)=O)ccc1OCCO

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.63
MAOB P27338 2/20 0.59
MEN1 O00255 5/20 0.57
TSHR P16473 2/20 0.54
PRSS1 P07477 3/20 0.53
MAPK1 P28482 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL4001162 0.92 KMT2A (0.66) KMT2AMAOBMEN1TSHRPRSS1
SCHEMBL6856717 0.90 KMT2A (0.76) KMT2AMAOBMEN1TSHRPRSS1
SCHEMBL30622549 0.87 TSHR (0.71) TSHRPRSS1MAPK1POLBMAPT
SCHEMBL617974 0.87 TSHR (0.71) TSHRPRSS1MAPK1POLBMAPT
SCHEMBL6096092 0.87 KMT2A (0.63) KMT2AMAOBMEN1TSHRPRSS1
SCHEMBL10761788 0.87 HPGD (0.64) KMT2AMAOBMEN1TSHRPRSS1
SCHEMBL470710 0.86 KMT2A (0.66) KMT2AMAOBMEN1TSHRPRSS1
SCHEMBL7322978 0.86 KMT2A (0.62) KMT2AMAOBMEN1TSHRPRSS1
SCHEMBL17329448 0.86 KMT2A (0.58) KMT2AMAOBMEN1TSHRPRSS1
SCHEMBL7228185 0.86 KMT2A (0.62) KMT2AMAOBMEN1TSHRPRSS1

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-20090239243-A1 Method of identifying compounds useful to treat neuronal degenerative diseases UNIVERSITY OF IOWA RESEARCH FOUNDATION 2009-09-24 US disclosed
US-20090017062-A1 Methods and compounds to alter virus infection IOWA RESEARCH FOUNDATION IOWA CENTERS FOR ENTERPRI (US) 2009-01-15 US disclosed
US-20080261201-A1 Methods and compounds to alter virus infection UNIVERSITY OF IOWA RESEARCH FOUNDATION IOWA CENTERS FOR ENTERPRISE (US) 2008-10-23 US disclosed
US-20080206792-A1 Method of identifying compounds useful to treat neuronal degenerative diseases UNIVERSITY OF IOWA RESEARCH FOUNDATION 2008-08-28 US disclosed
WO-1995022323-A1 METHODS FOR CONTROLLING FREE RADICAL GENERATION BY INFLAMMATORY CELLS IDUN PHARMACEUTICALS (US) 1995-08-24 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-20090017062-A1 Methods and compounds to alter virus infection CYBB, NOX4, NOX5 KMT2A 1957/4885MAOB 329/4885MEN1 4387/4885

“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.