SCHEMBL4284947

SCHEMBL4284947

CC(C)COC(=O)c1cc(C(=O)O)ccc1OCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
MYC P01106 3/20 0.47
MAX P61244 3/20 0.47
MAPT P10636 1/20 0.46
RXRA P19793 2/20 0.45
XDH P47989 2/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
EP300 Q09472 2/20 0.45
NR1H4 Q96RI1 2/20 0.44
HIF1A Q16665 1/20 0.44
FOS P01100 1/20 0.43
JUN P05412 1/20 0.43
SLC22A12 Q96S37 1/20 0.43

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
SCHEMBL28607405 0.88 PTPN11 (0.51) ALDH1A1TSHRMYCMAXRXRA
SCHEMBL828886 0.85 ALDH1A1 (0.62) ALDH1A1TSHRMYCMAXMAPT
SCHEMBL27557397 0.84 ALDH1A1 (0.60) ALDH1A1TSHRMYCMAPTNR1H4
SCHEMBL4281903 0.82 ALDH1A1 (0.54) ALDH1A1TSHRMAPTXDHNR1H4
SCHEMBL4856552 0.82 ALDH1A1 (0.54) ALDH1A1TSHRMAPTXDHHIF1A
SCHEMBL4276431 0.82 FOS (0.49) ALDH1A1TSHRMAPTXDHNR1H4
SCHEMBL4734254 0.81 ALDH1A1 (0.57) ALDH1A1TSHRMYCMAXMAPT
SCHEMBL4279121 0.80 ALDH1A1 (0.47) ALDH1A1TSHRMYCMAXMAPT
SCHEMBL28663371 0.79 AR (0.51) ALDH1A1TSHRMAPTXDHHIF1A
SCHEMBL6198908 0.79 ALDH1A1 (0.59) ALDH1A1TSHRMAPTRXRAXDH

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 4 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
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 ALDH1A1 2031/4885TSHR 4233/4885MYC 195/4885

“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.