SCHEMBL10102096

SCHEMBL10102096

CC(=O)c1cc(OC(C)C)c(C)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.38
HTT P42858 1/20 0.37
TSHR P16473 4/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 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
AR P10275 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL16181220 0.82 LCK (0.55) LCKFYNHTTTSHRALDH1A1
SCHEMBL660608 0.81 LCK (0.59) LCKFYNHTTTSHRALDH1A1
SCHEMBL31081166 0.81 LCK (0.59) LCKFYNHTTTSHRALDH1A1
SCHEMBL16273714 0.80 ALDH1A1 (0.42) IRAK4HTTTSHRALDH1A1RORC
SCHEMBL10101864 0.79 IRAK4 (0.38) IRAK4HTTTSHRALDH1A1CYP3A4
SCHEMBL16385415 0.79 MAPT (0.36) TSHRHTR2AHTR2CHTR2BMAPT
SCHEMBL12316433 0.77 HTT (0.55) IRAK4HTTTSHRALDH1A1CYP3A4
SCHEMBL18015341 0.77 SMN1; SMN2 (0.43) LCKFYNHTTTSHRHSD17B10
SCHEMBL18309172 0.74 ALDH1A1 (0.52) LCKFYNIRAK4HTTTSHR
SCHEMBL10102098 0.74 LMNA (0.31) HTR2AHTR2CHTR2B

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 LCK 3485/4885FYN 2884/4885IRAK4 226/4885

“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.