SCHEMBL4487448

SCHEMBL4487448

COc1c(F)cc(C(=O)C(C)C(=O)O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
TUBB1 Q9H4B7 6/20 0.40
ACACB O00763 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
APP P05067 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 1/20 0.35
PTGES O14684 1/20 0.35
TPMT P51580 3/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
STING1 Q86WV6 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
SCHEMBL12780330 0.84 TUBB1 (0.43) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL10838871 0.81 TUBB1 (0.41) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL1458628 0.77 LMNA (0.58) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL4457802 0.76 SLC6A3 (0.53) CES2CES1
SCHEMBL10762807 0.75 CHRNA1 (0.57) LMNAMAPK1HTTRAB9ACES2
SCHEMBL2125873 0.75 PTGS2 (0.54) LMNAAPPCYP2C19PTGS2AKR1C3
SCHEMBL20607111 0.74 TUBB1 (0.39) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL507133 0.74 LMNA (0.50) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL312536 0.72 TUBB1 (0.45) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL3144242 0.72 TSHR (0.53) LMNAMAPK1HTTRAB9ATUBB1

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-7632845-B2 2-(p-oxyphenyl)-6-oxyquinolines, e.g., 2-(3-Fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol; inflammatory bowel disease; Crohn's disease; anticarcinogenic agents; anticholesterol agents; antilipemic agents; cardiovascular diorders; osteoporosis; A lzheimer's disease; fertility; antiarthritic agents WYETH (US) 2009-12-15 US disclosed
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents WYETH (US) 2006-09-28 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-20060217399-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 LMNA 3392/4885MAPK1 684/4885HTT 3857/4885

“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.