SCHEMBL4280876

SCHEMBL4280876

CC(C)CCOc1ccc(Cc2ccc(OCCC(C)C)c(OCCC(C)C)c2)cc1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
XDH P47989 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL4853208 0.82 FOS (0.48) THRATHRBALDH1A1HDAC1HDAC2
SCHEMBL4281229 0.78 MAPK1 (0.42) THRATHRBALDH1A1HDAC1HDAC2
SCHEMBL4281226 0.78 MAPK1 (0.42) THRATHRBALDH1A1HDAC1HDAC2
SCHEMBL3937875 0.75 NPSR1 (0.48) THRATHRBKDM4EALDH1A1HTT
SCHEMBL3933704 0.74 NPSR1 (0.47) THRATHRBALDH1A1HTTNPSR1
SCHEMBL4289851 0.73 LMNA (0.46) THRATHRBHTTMAPK1XDH
SCHEMBL4276633 0.72 MAPK1 (0.64) KDM4EALDH1A1HTTGAAMAPK1
SCHEMBL4284099 0.72 FOS (0.48) ALDH1A1HTTHSD17B10PPARG
SCHEMBL4279655 0.72 FOS (0.56) THRATHRBALDH1A1HTTGAA
SCHEMBL2920205 0.71 MRGPRX1 (0.44) KDM4EALDH1A1SMN1; SMN2HDAC1HDAC2

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
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US 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 THRA 4138/4885THRB 3521/4885KDM4E 3794/4885

“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.