SCHEMBL22244

SCHEMBL22244

CC1=CC(=O)C(CN2CCOCC2)=C(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
STAT3 P40763 1/20 0.45
HTT P42858 1/20 0.45
CYP2A13 Q16696 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
HSD17B10 Q99714 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.37
CXCR4 P61073 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL28152640 0.98 TP53 (0.44) TP53SMN1; SMN2MAPTSTAT3HTT
SCHEMBL15167128 0.81 CYP2A13 (0.43) TP53SMN1; SMN2MAPTSTAT3HTT
SCHEMBL10446594 0.80 SMN1; SMN2 (0.42) TP53SMN1; SMN2MAPTSTAT3HTT
SCHEMBL11243437 0.75 STAT3 (0.44) TP53SMN1; SMN2MAPTSTAT3HTT
SCHEMBL10446465 0.75 PKM (0.57) SMN1; SMN2MAPTHTTCYP2A13KDM4E
SCHEMBL10473053 0.73 IDO1 (0.44) TP53SMN1; SMN2MAPTHTTCYP2A13
SCHEMBL11250877 0.70 HRH3 (0.47) SMN1; SMN2MAPTHTTCYP2A13KDM4E
SCHEMBL10446125 0.67 SMN1; SMN2 (0.42) TP53SMN1; SMN2MAPTHTTCYP2A13
SCHEMBL10972633 0.66 SMN1; SMN2 (0.39) TP53SMN1; SMN2HTTCYP2A13KDM4E
SCHEMBL24498675 0.64 CYP2A13 (0.41) SMN1; SMN2MAPTHTTCYP2A13HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012025587-A9 PROCESS FOR THE MANUFACTURE OF TMHQ DSM IP ASSETS B.V. (NL) 2017-01-05 WO disclosed
EP-2609079-B1 PROCESS FOR THE MANUFACTURE OF TMHQ DSM IP ASSETS BV (NL) 2015-05-06 EP disclosed
EP-2609079-B1 PROCESS FOR THE MANUFACTURE OF TMHQ DSM IP ASSETS BV (NL) 2015-05-06 EP disclosed
US-8809591-B2 Process for the manufacture of TMHQ DSM IP ASSETS B.V. (NL) 2014-08-19 US disclosed
US-8809591-B2 Process for the manufacture of TMHQ DSM IP ASSETS B.V. (NL) 2014-08-19 US disclosed
US-20130211080-A1 PROCESS FOR THE MANUFACTURE OF TMHQ DSM IP ASSETS B.V. (NL) 2013-08-15 US disclosed
US-20130211080-A1 PROCESS FOR THE MANUFACTURE OF TMHQ DSM IP ASSETS B.V. (NL) 2013-08-15 US disclosed
EP-2609079-A1 PROCESS FOR THE MANUFACTURE OF TMHQ DSM IP Assets B.V. (NL) 2013-07-03 EP disclosed
WO-2012025587-A1 PROCESS FOR THE MANUFACTURE OF TMHQ DSM IP ASSETS B.V. (NL) 2012-03-01 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-20130211080-A1 PROCESS FOR THE MANUFACTURE OF TMHQ POLQ, PNMT, TERT TP53 2505/4885SMN1; SMN2 2258/4885MAPT 1208/4885

“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.