SCHEMBL1720749

SCHEMBL1720749

C=C(CCCC)C(=O)C=CC(=O)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL2838405 0.75 CES1 (0.39) CES2CES1ALDH1A1ZDHHC20ZDHHC2
SCHEMBL1700981 0.72 EGFR (0.54) EGFRLMNAALDH1A1L3MBTL1RAB9A
SCHEMBL2534565 0.72 EGFR (0.54) EGFRLMNAALDH1A1L3MBTL1RAB9A
SCHEMBL24241989 0.67 MEN1 (0.36) CES2CES1ALDH1A1TP53
SCHEMBL9462903 0.67 ALDH1A1 (0.57) CES2CES1ALDH1A1TP53MAPT
SCHEMBL5208649 0.66 TSHR (0.36) EGFRALDH1A1ZDHHC20ZDHHC2CNR1
SCHEMBL1916578 0.66 CNR1 (0.64) ALDH1A1CNR1CNR2
SCHEMBL17556044 0.66 CNR1 (0.64) ALDH1A1CNR1CNR2
SCHEMBL13124171 0.65 EGFR (0.44) EGFRLMNAALDH1A1L3MBTL1CNR1
SCHEMBL6364252 0.64 EGFR (0.52) EGFRLMNAALDH1A1L3MBTL1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678870-B2 Processable molecularly imprinted polymers THE JOHNS HOPKINS UNIVERSITY (US) 2010-03-16 US claimed
US-20070197746-A1 Processable molecularly imprinted polymers THE JOHNS HOPKINS UNIVERSITY 2007-08-23 US claimed
EP-1733211-A4 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS UNIV JOHNS HOPKINS (US) 2007-05-30 EP claimed
EP-1733211-A1 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS THE JOHNS-HOPKINS UNIVERSITY (US) 2006-12-20 EP claimed
WO-2005103655-A1 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS THE JOHNS HOPKINS UNIVERSITY (US) 2005-11-03 WO claimed
EP-1733211-B1 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS UNIV JOHNS HOPKINS (US) 2012-01-11 EP disclosed
US-7799568-B2 Authentication of products using molecularly imprinted polymers THE JOHNS HOPKINS UNIVERSITY (US) 2010-09-21 US disclosed
US-7678870-B2 Processable molecularly imprinted polymers THE JOHNS HOPKINS UNIVERSITY (US) 2010-03-16 US disclosed
US-20080056940-A1 Authentication Of Products Using Molecularly Imprinted Polymers JOHNS HOPKINS UNIVERISTY 2008-03-06 US disclosed
US-20070197746-A1 Processable molecularly imprinted polymers THE JOHNS HOPKINS UNIVERSITY 2007-08-23 US disclosed
EP-1733211-A4 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS UNIV JOHNS HOPKINS (US) 2007-05-30 EP disclosed
EP-1733211-A1 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS THE JOHNS-HOPKINS UNIVERSITY (US) 2006-12-20 EP disclosed
US-7067702-B2 Process for preparing vinyl substituted beta-diketones THE JOHNS HOPKINS UNIVERSITY (US) 2006-06-27 US disclosed
US-20060069288-A1 Process for preparing vinyl substituted beta-diketones THE JOHNS HOPKINS UNIVERSITY 2006-03-30 US disclosed
WO-2005103655-A1 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS THE JOHNS HOPKINS UNIVERSITY (US) 2005-11-03 WO disclosed
WO-2005038734-A2 AUTHENTICATION OF PRODUCTS USING MOLECULARLY IMPRINTED POLYMERS THE JOHNS HOPKINS UNIVERSITY (US) 2005-04-28 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-20060069288-A1 Process for preparing vinyl substituted beta-diketones VRK1, VRK2, DEK EGFR 2120/4885CES2 2479/4885CES1 2307/4885

“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.