SCHEMBL5697220

SCHEMBL5697220

CC(C)Oc1ccccc1C=N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACHE P22303 1/20 0.41
AR P10275 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL419697 0.83 ALDH1A1 (0.43) ALDH1A1IRAK4MAPTLMNASMN1; SMN2
SCHEMBL13988354 0.83 AR (0.49) ALDH1A1IRAK4MAPTLMNASMN1; SMN2
SCHEMBL5412728 0.81 ALDH1A1 (0.44) ALDH1A1IRAK4MAPTLMNASMN1; SMN2
SCHEMBL177279 0.79 ALDH1A1 (0.55) ALDH1A1IRAK4MAPTLMNASMN1; SMN2
SCHEMBL29665189 0.79 ALDH1A1 (0.43) ALDH1A1IRAK4MAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL17006212 0.79 ALDH1A1 (0.43) ALDH1A1IRAK4MAPTLMNASMN1; SMN2
SCHEMBL3219356 0.79 ALDH1A1 (0.43) ALDH1A1IRAK4MAPTLMNASMN1; SMN2
SCHEMBL19719742 0.78 KMT2A (0.44) ALDH1A1IRAK4MAPTLMNAMEN1
Hydrochloric Acid SCHEMBL3191446 0.78 ALDH1A1 (0.42) ALDH1A1IRAK4MAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3191433 0.78 PTGES2 (0.43) ALDH1A1IRAK4MAPTLMNASMN1; SMN2

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-9938253-B2 Catalysts for efficient Z-selective metathesis TRUSTEES OF BOSTON COLLEGE (US) 2018-04-10 US disclosed
EP-1334107-B1 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2006-07-26 EP disclosed
US-6872843-B2 Non-metallocene compounds, method for the production thereof and use of the same for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2005-03-29 US disclosed
US-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins EQUISTAR CHEMICALS, LP 2004-02-05 US disclosed
EP-1334107-A2 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS Basell Polyolefine GmbH (DE) 2003-08-13 EP disclosed
WO-2002032908-A2 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2002-04-25 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-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins SOAT2, NOTUM, SOAT1 ALDH1A1 1428/4885IRAK4 3263/4885MAPT 1019/4885

“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.