SCHEMBL4280451

SCHEMBL4280451

CC(C)CCOc1ccccc1CC=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
POLB P06746 1/20 0.49
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
IDO1 P14902 1/20 0.43
TLR8 Q9NR97 1/20 0.41
MCHR1 Q99705 1/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.39
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
LMNA P02545 1/20 0.38
HTR1A P08908 1/20 0.38
ADRB3 P13945 1/20 0.38
ADRA2C P18825 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
SCHEMBL28028545 0.84 KDM4E (0.54) HTTPOLBALDH1A1KDM4EADRB2
SCHEMBL4012576 0.83 ADRB2 (0.46) MAPTTLR8ALDH1A1KDM4EADRB2
SCHEMBL891577 0.83 L3MBTL1 (0.62) HTTPOLBMAPTSMN1; SMN2TP53
SCHEMBL4010761 0.81 L3MBTL1 (0.51) HTTMAPTSMN1; SMN2L3MBTL1NPSR1
SCHEMBL4706175 0.80 L3MBTL1 (0.50) HTTMAPTSMN1; SMN2L3MBTL1NPSR1
SCHEMBL4015695 0.80 KDM4E (0.51) HTTMAPTSMN1; SMN2L3MBTL1NPSR1
SCHEMBL27565908 0.80 HTT (0.51) HTTPOLBMAPTSMN1; SMN2TP53
SCHEMBL18893506 0.80 HTT (0.53) HTTPOLBMAPTSMN1; SMN2TP53
SCHEMBL4771965 0.79 MAPT (0.49) MAPTTP53L3MBTL1NPSR1HPGD
1,2-Diisopentoxybenzene SCHEMBL2843498 0.78 HTT (0.62) HTTPOLBMAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US 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
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 HTT 2656/4885POLB 3642/4885MAPT 3392/4885

“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.