SCHEMBL10101864

SCHEMBL10101864

CC(=O)c1cc(OC(C)C)c(C)cc1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.38
HTT P42858 1/20 0.37
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 1/20 0.36
RORC P51449 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
BRPF1 P55201 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
XDH P47989 1/20 0.33
FFAR1 O14842 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10101893 0.84 HMGCR (0.41) IRAK4HTTTSHRALDH1A1CYP3A4
SCHEMBL661435 0.81 HTT (0.51) IRAK4HTTALDH1A1CYP3A4BRPF1
SCHEMBL16273714 0.80 ALDH1A1 (0.42) IRAK4HTTTSHRALDH1A1RORC
SCHEMBL10102096 0.79 LCK (0.40) IRAK4HTTTSHRALDH1A1CYP3A4
SCHEMBL2589156 0.77 LMNA (0.34)
SCHEMBL12316433 0.77 HTT (0.55) IRAK4HTTTSHRALDH1A1CYP3A4
SCHEMBL22595755 0.75 HTT (0.47) HTTALDH1A1CYP3A4SMN1; SMN2MAPT
SCHEMBL10101867 0.74 LMNA (0.30)
SCHEMBL10101852 0.72 MAPT (0.37) TSHRALDH1A1CYP3A4HTR2AHTR2C
SCHEMBL13475557 0.72 LMNA (0.37) IRAK4TSHRHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 US 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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 IRAK4 226/4885HTT 3412/4885TSHR 3564/4885

“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.