SCHEMBL14636353

SCHEMBL14636353

CC1CN(c2ccc(C=O)cn2)CC(C)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
AOC3 Q16853 2/20 0.44
KCNJ1 P48048 1/20 0.43
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.42
ADRA1A P35348 1/20 0.40
LMNA P02545 1/20 0.39
PRKDC P78527 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BTK Q06187 1/20 0.37
KCNH2 Q12809 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
SCHEMBL31047814 1.00 KMT2A (0.48) KMT2AAOC3KCNJ1GAAMAPT
SCHEMBL16067901 0.83 NR3C2 (0.46) KCNJ1RAB9AHPGDLRRK2PIK3CA
SCHEMBL20692500 0.82 HDAC1 (0.46) KCNJ1MAPTKDM4E
SCHEMBL23769160 0.80 KCNJ1 (0.46) KCNJ1KDM4EALDH1A1L3MBTL1BTK
SCHEMBL20924396 0.80 HDAC6 (0.45) KMT2AAOC3GAAMAPTKDM4E
SCHEMBL31182223 0.78 KMT2A (0.53) KMT2AAOC3GAAMAPTKDM4E
SCHEMBL15743968 0.78 KMT2A (0.53) KMT2AAOC3GAAMAPTKDM4E
SCHEMBL24018507 0.78 KMT2A (0.53) KMT2AAOC3GAAMAPTKDM4E
SCHEMBL10034110 0.78 KMT2A (0.53) KMT2AAOC3GAAMAPTKDM4E
SCHEMBL18436130 0.78 KMT2A (0.53) KMT2AAOC3GAAMAPTKDM4E

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
EP-2734505-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-05-28 EP disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
WO-2013011033-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 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-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use VHL, HIF1AN, HIF1A KMT2A 2770/4885AOC3 2335/4885KCNJ1 4046/4885

“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.