SCHEMBL13338342

SCHEMBL13338342

Oc1ccc(/C=C\c2ccc(O)c(CN3CCOCC3)c2)cc1CN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.58
CYP2C9 P11712 2/20 0.56
ALOX15 P16050 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
MAPT P10636 5/20 0.50
KDM4E B2RXH2 4/20 0.50
LMNA P02545 3/20 0.50
ACHE P22303 2/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 3/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 3/20 0.47
RECQL P46063 1/20 0.47
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47

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
SCHEMBL2513902 1.00 CTSB (0.58) CTSBCYP2C9ALOX15HSD17B10SMN1; SMN2
SCHEMBL2513906 1.00 CTSB (0.58) CTSBCYP2C9ALOX15HSD17B10SMN1; SMN2
SCHEMBL15999199 0.94 ACHE (0.56) CTSBCYP2C9ALOX15HSD17B10SMN1; SMN2
SCHEMBL1421723 0.89 CTSB (0.60) CTSBCYP2C9ALOX15HSD17B10SMN1; SMN2
SCHEMBL2509364 0.88 MAOB (0.63) CTSBCYP2C9ALOX15HSD17B10SMN1; SMN2
SCHEMBL2509369 0.88 MAOB (0.63) CTSBCYP2C9ALOX15HSD17B10SMN1; SMN2
SCHEMBL13339132 0.88 MAOB (0.63) CTSBCYP2C9ALOX15HSD17B10SMN1; SMN2
SCHEMBL13339109 0.85 ACHE (0.68) MAOBMAPTKDM4ELMNAACHE
SCHEMBL2486368 0.85 ACHE (0.68) MAOBMAPTKDM4ELMNAACHE
SCHEMBL2486370 0.85 ACHE (0.68) MAOBMAPTKDM4ELMNAACHE

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
US-20140248634-A1 VIMENTIN AS A BIOMARKER FOR THE PROGRESSION OF MYELOPROLIFERATIVE NEOPLASMS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2014-09-04 US disclosed
US-20140248634-A1 VIMENTIN AS A BIOMARKER FOR THE PROGRESSION OF MYELOPROLIFERATIVE NEOPLASMS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2014-09-04 US disclosed
WO-2013019655-A2 VIMENTIN AS A BIOMARKER FOR THE PROGRESSION OF MYELOPROLIFERATIVE NEOPLASMS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2013-02-07 WO disclosed
US-20110301159-A1 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF SOUTH FLORIDA (US) 2011-12-08 US disclosed
US-20110301159-A1 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF SOUTH FLORIDA (US) 2011-12-08 US disclosed
WO-2010068710-A2 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-17 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-20110301159-A1 KINASE INHIBITOR COMPOUNDS JAK2, JAK1, JAK3 CTSB 1994/4885CYP2C9 4646/4885ALOX15 2374/4885

“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.