SCHEMBL4090722

SCHEMBL4090722

C/C(CC(C)C)=N/c1c(C)cc(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.31
ACHE P22303 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4090725 1.00 TDP1 (0.33) TDP1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL18544003 0.79 RAPGEF4 (0.37) KDM4EMAPT
SCHEMBL18544005 0.79 RAPGEF4 (0.37) KDM4EMAPT
SCHEMBL14670497 0.79 RAPGEF4 (0.37) KDM4EMAPT
SCHEMBL18631853 0.75 KDM4E (0.32) TDP1KDM4EPOLB
SCHEMBL18631852 0.75 KDM4E (0.32) TDP1KDM4EPOLB
SCHEMBL5799242 0.74 POLB (0.32) POLB
SCHEMBL18631841 0.74 RAB9A (0.33) TDP1KDM4EPOLBMAPTRAB9A
SCHEMBL18631842 0.74 RAB9A (0.33) TDP1KDM4EPOLBMAPTRAB9A
SCHEMBL21192650 0.73 LMNA (0.41) MAPT

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-20090036713-A1 PROCESS FOR THE HYDROGENATION OF IMINES EVONIK DEGUSSA GMBH (DE) 2009-02-05 US disclosed
EP-1991520-A1 PROCESS FOR THE HYDROGENATION OF IMINES Evonik Degussa GmbH (DE) 2008-11-19 EP disclosed
WO-2007101769-A1 PROCESS FOR THE HYDROGENATION OF IMINES EVONIK DEGUSSA GMBH (DE) 2007-09-13 WO disclosed
US-20070213540-A1 Process for the hydrogenation of imines DEGUSSA AG (DE) 2007-09-13 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 (2 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-20090036713-A1 PROCESS FOR THE HYDROGENATION OF IMINES IPO5, IPO4, HRH3 TDP1 3165/4885KDM4E 2212/4885POLB 649/4885
US-20070213540-A1 Process for the hydrogenation of imines KCNH3, KCNH2, KMO TDP1 4093/4885KDM4E 1507/4885POLB 1901/4885

“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.