SCHEMBL4280428

SCHEMBL4280428

COC(=O)Cc1ccccc1OCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.49
ADRB1 P08588 2/20 0.49
HTR1A P08908 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CACNA1G O43497 6/20 0.45
CACNA1H O95180 5/20 0.45
CACNA1I Q9P0X4 5/20 0.45
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARD Q03181 1/20 0.42

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
SCHEMBL4284013 0.85 HTT (0.55) ADRB2ADRB1L3MBTL1HPGDHTT
SCHEMBL26725046 0.84 L3MBTL1 (0.64) ADRB2ADRB1L3MBTL1CACNA1GCACNA1H
SCHEMBL8081119 0.84 L3MBTL1 (0.55) ADRB2ADRB1L3MBTL1CACNA1GCACNA1H
SCHEMBL10963108 0.83 TDP1 (0.46) ADRB2ADRB1L3MBTL1HPGDHTT
SCHEMBL7847681 0.82 TSHR (0.58) L3MBTL1KDM4ELMNAPPARD
SCHEMBL30104114 0.82 TSHR (0.58) L3MBTL1KDM4ELMNAPPARD
SCHEMBL18066342 0.81 L3MBTL1 (0.47) L3MBTL1KDM4EPPARD
SCHEMBL12400302 0.81 ALDH1A1 (0.49) L3MBTL1HPGDHTTKDM4ELMNA
SCHEMBL22442208 0.80 L3MBTL1 (0.51) ADRB2ADRB1L3MBTL1CACNA1GCACNA1H
SCHEMBL30027909 0.80 MEN1 (0.58) L3MBTL1HPGDLMNASMN1; SMN2

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 6 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
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 1131/4885HTR1A 2991/4885

“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.