SCHEMBL4769424

SCHEMBL4769424

CCCC[Sn](CCCC)(CCCC)c1ccc(CCC(=O)OCC)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.59
CYP4A11 Q02928 3/20 0.59
CYP4Z1 Q86W10 3/20 0.48
CYP4F11 Q9HBI6 1/20 0.43
CYP4F12 Q9HCS2 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALOX5 P09917 1/20 0.41
EPHX2 P34913 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10589560 0.84 CYP4F2 (0.40) CYP4F2CYP4A11TDP1
SCHEMBL4773216 0.84 PPARA (0.48) CYP4F2CYP4A11CYP4Z1TDP1ALOX5
SCHEMBL6286441 0.83 CYP4F2 (0.72) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL4774135 0.82 ALDH1A1 (0.49)
SCHEMBL8906499 0.82 FFAR1 (0.50)
SCHEMBL6288506 0.82 CYP4F2 (0.70) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL68902 0.81 CYP4F2 (0.85) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL11437256 0.80 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL10206072 0.80 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL8907659 0.78 KMT2A (0.36) CYP4F2CYP4A11

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 CYP4F2 2166/4885CYP4A11 1191/4885CYP4Z1 3682/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CYP4F2 2733/4885CYP4A11 2992/4885CYP4Z1 4200/4885

“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.