SCHEMBL4483431

SCHEMBL4483431

CCC(C(=O)O)C(=O)c1ccc(OC)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.62
LMNA P02545 2/20 0.62
MAPK1 P28482 2/20 0.62
RAB9A P51151 1/20 0.62
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH3 Q9Y5N1 2/20 0.48
ACHE P22303 1/20 0.48
LDHA P00338 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL2296812 0.86 CA12 (0.59) MAPK1MAPTACHELDHAMEN1
SCHEMBL17996478 0.84 HTT (0.59) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL2294689 0.83 CES2 (0.51) HTTLMNAMAPK1RAB9ASMN1; SMN2
SCHEMBL4597925 0.80 HTT (0.67) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL2843396 0.78 HTT (0.60) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL503994 0.77 HTT (1.00) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL31493230 0.77 HTT (1.00) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL2845183 0.76 HTT (0.67) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL28217099 0.76 HTT (0.76) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL8148527 0.75 LMNA (0.60) HTTLMNAMAPK1RAB9ATAS1R3

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 5 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-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-20060229280-A1 Endothelin antagonists ABBVIE INC. 2006-10-12 US disclosed
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents WYETH (US) 2006-09-28 US disclosed
US-6946481-B1 Endothelin antagonists ABBOTT LABORATORIES (US) 2005-09-20 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 (2 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-20060229280-A1 Endothelin antagonists EDNRA, EDNRB, ECE1 HTT 2597/4885LMNA 934/4885MAPK1 392/4885
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 HTT 3857/4885LMNA 3392/4885MAPK1 684/4885

“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.