SCHEMBL7038780

SCHEMBL7038780

C#Cc1ccc(-c2ccccc2Oc2ccccc2-c2ccc(C#C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
PTGS2 P35354 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
XDH P47989 1/20 0.36
BRD4 O60885 1/20 0.35
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
KEAP1 Q14145 1/20 0.34
DRD1 P21728 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
AR P10275 1/20 0.34
SCN9A Q15858 3/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MAOA P21397 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
SCHEMBL11315026 0.85 XDH (0.47) XDHAR
SCHEMBL3842565 0.83 KEAP1 (0.41) PTGS2KEAP1EGLN2
SCHEMBL7036704 0.82 FFAR4 (0.33) FFAR4KEAP1MAOAMAOBEGLN2
SCHEMBL19367131 0.80 SCN9A (0.46) NCOA1NCOA3ARSCN9AALOX5AP
SCHEMBL5872097 0.80 APP (0.48) NCOA1NCOA3PTGS2FFAR4BRD4
SCHEMBL10868280 0.78 GRM5 (0.41)
SCHEMBL2059488 0.76 NCOA1 (0.59) NCOA1NCOA3PTGS2FFAR4XDH
SCHEMBL112422 0.75 NCOA1 (0.63) NCOA1NCOA3PTGS2FFAR4TP53
SCHEMBL11235690 0.75 CYP2A6 (0.60) TP53RAB9AARSCN9AMAOB
SCHEMBL6517747 0.75 ESR2 (0.42) KEAP1EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065117-A1 Modified silicone compound, process of producing the same, and cured object obtained therefrom NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-04-03 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-20030065117-A1 Modified silicone compound, process of producing the same, and cured object obtained therefrom ORMDL3, SGMS1, HEATR1 NCOA1 1615/4885NCOA3 2792/4885PTGS2 1431/4885

“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.