SCHEMBL4773216

SCHEMBL4773216

CCCC[Sn](CCCC)(CCCC)c1cccc(CCC(=O)OCC)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.48
PPARG P37231 2/20 0.48
CYP4F2 P78329 4/20 0.47
CYP4A11 Q02928 4/20 0.47
TDP1 Q9NUW8 1/20 0.41
ALOX5 P09917 1/20 0.41
SYK P43405 3/20 0.39
CYP4Z1 Q86W10 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL8845870 0.87 PPARA (0.44) PPARAPPARGCYP4F2CYP4A11CYP4Z1
SCHEMBL4769424 0.84 CYP4F2 (0.59) CYP4F2CYP4A11TDP1ALOX5CYP4Z1
SCHEMBL4425984 0.80 CYP4F2 (0.64) PPARAPPARGCYP4F2CYP4A11TDP1
SCHEMBL879289 0.76 CYP4F2 (0.58) PPARAPPARGCYP4F2CYP4A11TDP1
SCHEMBL13104077 0.76 CYP4F2 (0.58) PPARAPPARGCYP4F2CYP4A11TDP1
SCHEMBL317948 0.76 RAB9A (0.52) CYP4F2CYP4A11ALDH1A1
SCHEMBL3175607 0.75 CYP4F2 (0.65) PPARAPPARGCYP4F2CYP4A11TDP1
SCHEMBL22070553 0.75 CYP4F2 (0.76) PPARAPPARGCYP4F2CYP4A11TDP1
SCHEMBL2745464 0.75 CYP4F2 (0.57) PPARAPPARGCYP4F2CYP4A11TDP1
SCHEMBL10725552 0.75 CYP4F2 (0.61) PPARAPPARGCYP4F2CYP4A11TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 PPARA 1247/4885PPARG 1862/4885CYP4F2 2166/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PPARA 3207/4885PPARG 2582/4885CYP4F2 2733/4885

“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.