SCHEMBL6314858

SCHEMBL6314858

CCCCCCC(C)NC(=O)CC#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MCL1 Q07820 3/20 0.44
FAAH O00519 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
MAPK1 P28482 1/20 0.43
ACACB O00763 1/20 0.41
MLYCD O95822 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 1/20 0.38
CA1 P00915 1/20 0.38
ASAH1 Q13510 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38

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
SCHEMBL6316330 0.98 ALDH1A1 (0.46) ALDH1A1GAAMCL1FAAHMEN1
SCHEMBL20374252 0.85 PLA2G2C (0.51) ALDH1A1GAAMCL1FAAHMEN1
SCHEMBL6322577 0.83 MCL1 (0.44) ALDH1A1GAAMCL1KMT2AACACB
SCHEMBL2182220 0.80 FAAH (0.50) FAAHMEN1KMT2AADH1BADH1C
SCHEMBL13267751 0.80 FAAH (0.50) FAAHMEN1KMT2AADH1BADH1C
SCHEMBL28345296 0.80 FAAH (0.50) FAAHMEN1KMT2AADH1BADH1C
SCHEMBL14370371 0.80 FAAH (0.48) ALDH1A1FAAHMEN1KMT2AADH1B
SCHEMBL2481774 0.79 FAAH (0.69) ALDH1A1FAAHMEN1KMT2AMAPK1
SCHEMBL5682814 0.79 FAAH (0.69) ALDH1A1FAAHMEN1KMT2AMAPK1
SCHEMBL2482308 0.79 FAAH (0.69) ALDH1A1FAAHMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 ALDH1A1 4444/4885GAA 789/4885MCL1 584/4885

“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.