SCHEMBL4012576

SCHEMBL4012576

CC(C)COc1ccccc1CC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.46
ADRB1 P08588 4/20 0.46
LMNA P02545 2/20 0.46
KCNH2 Q12809 2/20 0.46
HTR1A P08908 1/20 0.46
ADRB3 P13945 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A2 P23975 1/20 0.46
BDKRB2 P30411 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PMP22 Q01453 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 3/20 0.44

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
SCHEMBL4280451 0.83 HTT (0.51) ADRB2ADRB1LMNAKCNH2HTR1A
SCHEMBL10701443 0.82 L3MBTL1 (0.56) ADRB2ADRB1ADRB3CYP1A2CYP2D6
SCHEMBL8048270 0.80 HTR2C (0.42) ADRB2ADRB1KCNH2ALDH1A1HIF1A
SCHEMBL2556550 0.80 L3MBTL1 (0.59) KDM4ETDP1ALDH1A1MAPTTHRB
SCHEMBL3361954 0.79 IRAK4 (0.43) LMNAKCNH2HTR1AADRA2CSLC6A2
SCHEMBL16033232 0.78 HTR2C (0.46) ADRB2ADRB1LMNAKCNH2HTR1A
SCHEMBL12394754 0.78 GABRA1 (0.45) ADRB2ADRB1LMNAKCNH2HTR1A
SCHEMBL4014644 0.78 MELK (0.37) LMNAKCNH2TSHRKDM4EALDH1A1
SCHEMBL4949334 0.77 KDM4E (0.43) ADRB2ADRB1LMNAKCNH2HTR1A
SCHEMBL8036408 0.77 ADRB2 (0.46) ADRB2ADRB1CACNA1GCACNA1HCACNA1I

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074114-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
WO-2008143759-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2008-11-27 WO disclosed
CN-101284865-A Novel compound and medical use thereof TOYAMA CHEMICAL CO LTD (JP) 2008-10-15 CN disclosed
CN-100378063-C Novel compound and medical use thereof TOYAMA CHEMICAL CO LTD (JP) 2008-04-02 CN disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 US disclosed
CN-1325376-A Novel compound and medical use thereof TOYAMA CHEMICAL CO LTD (JP) 2001-12-05 CN disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 EP 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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 ADRB2 1988/4885ADRB1 1131/4885LMNA 4318/4885

“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.