SCHEMBL2361764

SCHEMBL2361764

Cc1ccc(-c2ccc(F)cc2)c(C)c1C1C(=O)N2CCOCCN2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.36
LRRK2 Q5S007 2/20 0.35
STK4 Q13043 1/20 0.35
STK3 Q13188 1/20 0.35
LMNA P02545 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
NSD2 O96028 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIM1 P11309 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CFTR P13569 1/20 0.33
DPP4 P27487 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL6113640 0.89 HDAC1 (0.35) HDAC1HDAC2PIM1KDM4EALDH1A1
SCHEMBL2363411 0.88 ALDH1A1 (0.38) PRKDCLMNANSD2L3MBTL1TP53
SCHEMBL14405348 0.83 PDE3B (0.30) PDE3BPDE3A
SCHEMBL12022374 0.78 PRKDC (0.38) PRKDCLMNAL3MBTL1TP53KDM4E
SCHEMBL6113781 0.75 ALOX5AP (0.39) LRRK2PDE3BPDE3AGRM2
SCHEMBL11989371 0.70 PRKDC (0.38) PRKDCLMNATP53KDM4EALDH1A1
SCHEMBL6810634 0.68 SMN1; SMN2 (0.41) LMNAL3MBTL1TSHRTP53ALDH1A1
SCHEMBL20198184 0.66 HDAC1 (0.32) HDAC1HDAC2
SCHEMBL6113350 0.66 ALOX5AP (0.41) LRRK2GRM2
SCHEMBL14405316 0.64 CNR1 (0.38) HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US claimed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
EP-2536686-A1 CYCLIC KETO-ENOLS FOR THERAPY Bayer Intellectual Property GmbH (DE) 2012-12-26 EP disclosed
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 WO disclosed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 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 (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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 PRKDC 1820/4885LRRK2 4646/4885STK4 2688/4885
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY CYP46A1, LIPC, CYP27A1 PRKDC 4291/4885LRRK2 4823/4885STK4 3368/4885

“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.