SCHEMBL5405774

SCHEMBL5405774

CC(C)(C)OC(=O)NCCN(C1CCCC1)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
GAA P10253 4/20 0.43
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
BTK Q06187 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
GFER P55789 2/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 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
SCHEMBL24951947 0.86 EPHX1 (0.54) EPHX1TDP1MEN1KMT2AGAA
SCHEMBL6896596 0.85 EPHX1 (0.56) EPHX1TDP1MEN1KMT2AGAA
SCHEMBL13055387 0.82 EPHX1 (0.53) EPHX1TDP1MEN1KMT2AGAA
SCHEMBL21549019 0.81 EPHX1 (0.52) EPHX1TDP1MEN1KMT2AGAA
SCHEMBL24952346 0.81 EPHX1 (0.49) EPHX1TDP1MEN1KMT2AGAA
SCHEMBL27163346 0.80 EPHX1 (0.48) EPHX1TDP1MEN1KMT2AGAA
SCHEMBL1495989 0.79 EPHX1 (0.49) EPHX1TDP1MEN1KMT2AGAA
SCHEMBL12894207 0.79 EPHX1 (0.52) EPHX1TDP1MEN1KMT2AGAA
SCHEMBL27163404 0.79 EPHX1 (0.46) EPHX1TDP1MEN1KMT2AGAA
SCHEMBL1677726 0.77 EPHX1 (0.53) EPHX1TDP1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 US disclosed
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 US disclosed
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 US disclosed
US-6921753-B2 Purine derivatives PFIZER INC (US) 2005-07-26 US disclosed
US-20040229838-A1 Purine derivatives PFIZER INC 2004-11-18 US disclosed
EP-1296996-B1 PURINE DERIVATIVES PFIZER LTD (GB) 2004-05-26 EP disclosed
US-20020032168-A1 Purine derivatives PFIZER INC. 2002-03-14 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-20040229838-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 EPHX1 495/4885TDP1 526/4885MEN1 2518/4885
US-20020032168-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 EPHX1 495/4885TDP1 526/4885MEN1 2518/4885

“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.