SCHEMBL4282168

SCHEMBL4282168

CC(C)COc1ccc(OCC(C)C)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOS P01100 2/20 0.50
JUN P05412 2/20 0.50
XDH P47989 1/20 0.49
SLC22A12 Q96S37 1/20 0.49
NR1H4 Q96RI1 4/20 0.48
ALDH1A1 P00352 1/20 0.47
DHODH Q02127 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 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
SCHEMBL4289803 0.86 FOS (0.54) FOSJUNXDHSLC22A12NR1H4
SCHEMBL4281903 0.84 ALDH1A1 (0.54) FOSJUNXDHSLC22A12NR1H4
SCHEMBL28607405 0.84 PTPN11 (0.51) FOSJUNXDHSLC22A12NR1H4
SCHEMBL4277471 0.84 ABCB1 (0.52) XDHSLC22A12ALDH1A1DHODHTP53
SCHEMBL8493184 0.84 NR1H4 (0.48) XDHNR1H4ALDH1A1SIRT2POLB
SCHEMBL8136810 0.83 ALDH1A1 (0.47) XDHNR1H4ALDH1A1SIRT2KDM4E
SCHEMBL15936185 0.83 ALDH1A1 (0.47) XDHNR1H4ALDH1A1SIRT2TP53
SCHEMBL6198908 0.81 ALDH1A1 (0.59) FOSJUNXDHSLC22A12ALDH1A1
SCHEMBL2958827 0.81 NR1H4 (0.51) FOSJUNXDHSLC22A12NR1H4
SCHEMBL9197144 0.79 TSHR (0.47) XDHSLC22A12NR1H4ALDH1A1

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 FOS 63/4885JUN 20/4885XDH 1365/4885

“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.